Header list of 1p4w.pdb file
Complete list - b 23 2 Bytes
HEADER DNA BINDING PROTEIN 24-APR-03 1P4W
TITLE SOLUTION STRUCTURE OF THE DNA-BINDING DOMAIN OF THE ERWINIA AMYLOVORA
TITLE 2 RCSB PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RCSB;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: C-TERMINAL DOMAIN (RESIDUES 129-215);
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA AMYLOVORA;
SOURCE 3 ORGANISM_TAXID: 552;
SOURCE 4 GENE: RSCB;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: XL1;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PQ-CRCSBEA
KEYWDS RCSB PROTEIN, SOLUTION STRUCTURE, DNA BINDING DOMAIN, DNA BINDING
KEYWDS 2 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR P.PRISTOVSEK,K.SENGUPTA,F.LOEHR,B.SCHAEFER,M.WEHLAND VON TREBRA,
AUTHOR 2 H.RUETERJANS,F.BERNHARD
REVDAT 3 23-FEB-22 1P4W 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1P4W 1 VERSN
REVDAT 1 17-JUN-03 1P4W 0
JRNL AUTH P.PRISTOVSEK,K.SENGUPTA,F.LOHR,B.SCHAFER,M.W.VON TREBRA,
JRNL AUTH 2 H.RUTERJANS,F.BERNHARD
JRNL TITL STRUCTURAL ANALYSIS OF THE DNA-BINDING DOMAIN OF THE ERWINIA
JRNL TITL 2 AMYLOVORA RCSB PROTEIN AND ITS INTERACTION WITH THE RCSAB
JRNL TITL 3 BOX.
JRNL REF J.BIOL.CHEM. V. 278 17752 2003
JRNL REFN ISSN 0021-9258
JRNL PMID 12740396
JRNL DOI 10.1074/JBC.M301328200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, NMR2ST 1.05
REMARK 3 AUTHORS : BRUKER (XWINNMR), PRISTOVSEK, P. (NMR2ST)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 1618
REMARK 3 MEANINGFUL NOE DISTANCE RESTRAINTS
REMARK 4
REMARK 4 1P4W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-APR-03.
REMARK 100 THE DEPOSITION ID IS D_1000019010.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 289; 289
REMARK 210 PH : 6.4; 6.4
REMARK 210 IONIC STRENGTH : NULL; NULL
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM C-TERMINAL FRAGMENT OF RCSB
REMARK 210 IN 50 MM PHOSPHATE BUFFER, PH
REMARK 210 6.4; 1 MM C-TERMINAL FRAGMENT OF
REMARK 210 RCSB IN 50 MM PHOSPHATE BUFFER,
REMARK 210 PH 6.4
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 2D NOESY IN D2O
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DMX; DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 97, DYANA 1.5
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : THE SUBMITTED CONFORMER MODELS
REMARK 210 ARE THOSE WITH THE FEWEST NUMBER
REMARK 210 OF CONSTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY.
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-20
REMARK 465 RES C SSSEQI
REMARK 465 MET A 117
REMARK 465 ARG A 118
REMARK 465 GLY A 119
REMARK 465 SER A 120
REMARK 465 HIS A 121
REMARK 465 HIS A 122
REMARK 465 HIS A 123
REMARK 465 HIS A 124
REMARK 465 HIS A 125
REMARK 465 HIS A 126
REMARK 465 GLY A 127
REMARK 465 SER A 128
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 GLU A 132 CD GLU A 132 OE1 0.112
REMARK 500 1 GLU A 139 CD GLU A 139 OE1 0.114
REMARK 500 1 GLU A 155 CD GLU A 155 OE2 0.108
REMARK 500 1 GLU A 157 CD GLU A 157 OE1 0.112
REMARK 500 1 GLU A 164 CD GLU A 164 OE2 0.109
REMARK 500 1 GLU A 170 CD GLU A 170 OE2 0.114
REMARK 500 1 LYS A 215 C LYS A 215 OXT -0.125
REMARK 500 2 GLU A 132 CD GLU A 132 OE1 0.116
REMARK 500 2 GLU A 139 CD GLU A 139 OE2 0.114
REMARK 500 2 GLU A 155 CD GLU A 155 OE2 0.109
REMARK 500 2 GLU A 157 CD GLU A 157 OE1 0.113
REMARK 500 2 GLU A 164 CD GLU A 164 OE2 0.113
REMARK 500 2 GLU A 170 CD GLU A 170 OE2 0.114
REMARK 500 2 LYS A 215 C LYS A 215 OXT -0.130
REMARK 500 3 GLU A 132 CD GLU A 132 OE2 0.113
REMARK 500 3 GLU A 139 CD GLU A 139 OE2 0.108
REMARK 500 3 GLU A 155 CD GLU A 155 OE2 0.115
REMARK 500 3 GLU A 157 CD GLU A 157 OE2 0.113
REMARK 500 3 GLU A 164 CD GLU A 164 OE2 0.110
REMARK 500 3 GLU A 170 CD GLU A 170 OE2 0.114
REMARK 500 3 LYS A 215 C LYS A 215 OXT -0.126
REMARK 500 4 GLU A 132 CD GLU A 132 OE2 0.114
REMARK 500 4 GLU A 139 CD GLU A 139 OE2 0.109
REMARK 500 4 GLU A 155 CD GLU A 155 OE1 0.114
REMARK 500 4 GLU A 157 CD GLU A 157 OE2 0.115
REMARK 500 4 GLU A 164 CD GLU A 164 OE2 0.109
REMARK 500 4 GLU A 170 CD GLU A 170 OE1 0.111
REMARK 500 4 LYS A 215 C LYS A 215 OXT -0.123
REMARK 500 5 GLU A 132 CD GLU A 132 OE1 0.115
REMARK 500 5 GLU A 139 CD GLU A 139 OE2 0.115
REMARK 500 5 GLU A 155 CD GLU A 155 OE1 0.112
REMARK 500 5 GLU A 157 CD GLU A 157 OE2 0.113
REMARK 500 5 GLU A 164 CD GLU A 164 OE2 0.109
REMARK 500 5 GLU A 170 CD GLU A 170 OE2 0.113
REMARK 500 5 LYS A 215 C LYS A 215 OXT -0.123
REMARK 500 6 GLU A 132 CD GLU A 132 OE1 0.115
REMARK 500 6 GLU A 139 CD GLU A 139 OE2 0.114
REMARK 500 6 GLU A 155 CD GLU A 155 OE1 0.110
REMARK 500 6 GLU A 157 CD GLU A 157 OE2 0.109
REMARK 500 6 GLU A 164 CD GLU A 164 OE2 0.114
REMARK 500 6 GLU A 170 CD GLU A 170 OE2 0.113
REMARK 500 6 LYS A 215 C LYS A 215 OXT -0.125
REMARK 500 7 GLU A 132 CD GLU A 132 OE1 0.116
REMARK 500 7 GLU A 139 CD GLU A 139 OE2 0.109
REMARK 500 7 GLU A 155 CD GLU A 155 OE1 0.112
REMARK 500 7 GLU A 157 CD GLU A 157 OE2 0.113
REMARK 500 7 GLU A 164 CD GLU A 164 OE2 0.115
REMARK 500 7 GLU A 170 CD GLU A 170 OE1 0.110
REMARK 500 7 LYS A 215 C LYS A 215 OXT -0.125
REMARK 500 8 GLU A 132 CD GLU A 132 OE2 0.112
REMARK 500
REMARK 500 THIS ENTRY HAS 140 BOND DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 ASP A 148 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES
REMARK 500 1 ASP A 148 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 1 ARG A 150 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 1 ARG A 160 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 ARG A 177 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 1 ASP A 196 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 1 ASP A 198 CB - CG - OD1 ANGL. DEV. = -5.9 DEGREES
REMARK 500 1 ASP A 214 CB - CG - OD1 ANGL. DEV. = -5.8 DEGREES
REMARK 500 2 ARG A 150 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 2 ARG A 160 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES
REMARK 500 2 ARG A 177 NE - CZ - NH1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 ASP A 196 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES
REMARK 500 2 ASP A 196 CB - CG - OD2 ANGL. DEV. = -6.7 DEGREES
REMARK 500 2 ASP A 198 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES
REMARK 500 2 ASP A 198 CB - CG - OD2 ANGL. DEV. = -6.7 DEGREES
REMARK 500 2 ASP A 214 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 2 ASP A 214 CB - CG - OD2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 3 ASP A 148 CB - CG - OD1 ANGL. DEV. = -6.2 DEGREES
REMARK 500 3 ARG A 150 N - CA - CB ANGL. DEV. = -11.1 DEGREES
REMARK 500 3 ARG A 150 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 3 ARG A 160 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 3 ARG A 177 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 3 ASP A 196 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES
REMARK 500 3 ASP A 196 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 3 ASP A 198 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES
REMARK 500 4 ASP A 148 CB - CG - OD1 ANGL. DEV. = -6.5 DEGREES
REMARK 500 4 ASP A 148 CB - CG - OD2 ANGL. DEV. = 5.4 DEGREES
REMARK 500 4 ARG A 150 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 4 ARG A 160 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 4 ARG A 177 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 4 ARG A 177 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 4 ASP A 196 CB - CG - OD1 ANGL. DEV. = -5.7 DEGREES
REMARK 500 4 ASP A 198 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES
REMARK 500 4 ASP A 198 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES
REMARK 500 4 ASP A 214 CB - CG - OD1 ANGL. DEV. = -6.3 DEGREES
REMARK 500 5 ASP A 148 CB - CG - OD1 ANGL. DEV. = -5.7 DEGREES
REMARK 500 5 ARG A 150 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 5 ARG A 160 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES
REMARK 500 5 ARG A 177 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES
REMARK 500 5 ARG A 177 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 5 ASP A 196 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 5 ASP A 214 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES
REMARK 500 6 ASP A 148 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES
REMARK 500 6 ASP A 148 CB - CG - OD2 ANGL. DEV. = -6.6 DEGREES
REMARK 500 6 ARG A 150 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 6 LEU A 151 N - CA - CB ANGL. DEV. = -15.0 DEGREES
REMARK 500 6 ARG A 160 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES
REMARK 500 6 ARG A 177 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 6 ASP A 196 CB - CG - OD1 ANGL. DEV. = -5.6 DEGREES
REMARK 500 6 ASP A 198 CB - CG - OD1 ANGL. DEV. = -5.9 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 188 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 PRO A 131 -157.41 -69.55
REMARK 500 1 ASP A 148 123.80 -27.42
REMARK 500 1 SER A 152 155.37 -43.32
REMARK 500 1 ASN A 197 143.92 -175.59
REMARK 500 2 PRO A 131 -151.35 -70.95
REMARK 500 2 LYS A 149 -68.08 -177.05
REMARK 500 2 ARG A 150 115.46 -160.91
REMARK 500 2 ASN A 176 60.40 69.00
REMARK 500 2 ASP A 214 75.15 -66.30
REMARK 500 3 PRO A 131 -164.36 -68.64
REMARK 500 3 LYS A 149 18.59 -2.30
REMARK 500 3 ASN A 197 141.22 -172.90
REMARK 500 3 VAL A 213 97.54 -68.60
REMARK 500 4 LYS A 149 3.66 -68.07
REMARK 500 4 ASN A 176 68.11 69.79
REMARK 500 4 ARG A 177 -78.75 -140.37
REMARK 500 4 SER A 178 138.13 -178.66
REMARK 500 4 ASN A 197 142.62 -173.79
REMARK 500 4 ASP A 214 43.05 -80.51
REMARK 500 5 PRO A 131 -147.66 -74.52
REMARK 500 5 ASN A 176 60.52 70.24
REMARK 500 6 THR A 130 77.49 -157.05
REMARK 500 6 TYR A 146 -95.04 -79.53
REMARK 500 6 LYS A 149 39.04 -73.73
REMARK 500 6 ARG A 150 -63.63 -140.29
REMARK 500 6 LEU A 151 145.84 -18.04
REMARK 500 6 ASN A 176 65.95 67.83
REMARK 500 6 ARG A 177 -79.60 -131.48
REMARK 500 6 SER A 178 136.46 -179.59
REMARK 500 6 ASP A 196 33.09 -82.97
REMARK 500 6 ASN A 197 141.28 -173.29
REMARK 500 7 PRO A 131 -142.27 -66.38
REMARK 500 7 ASN A 176 60.89 69.56
REMARK 500 7 ASN A 197 146.22 -170.82
REMARK 500 7 VAL A 213 77.60 -68.88
REMARK 500 8 PRO A 131 -147.63 -80.25
REMARK 500 8 ARG A 150 66.11 -117.23
REMARK 500 8 ASN A 176 62.26 70.58
REMARK 500 8 ASN A 197 141.34 -174.45
REMARK 500 8 VAL A 213 84.51 -69.45
REMARK 500 9 ASP A 148 124.40 -12.20
REMARK 500 9 ASN A 176 61.46 69.91
REMARK 500 9 ASN A 197 144.60 -170.64
REMARK 500 9 SER A 209 63.96 60.32
REMARK 500 9 ASP A 214 48.93 -82.79
REMARK 500 10 THR A 130 74.91 45.89
REMARK 500 10 PRO A 131 -151.47 -71.45
REMARK 500 10 TYR A 146 -157.94 62.24
REMARK 500 10 LYS A 149 -21.70 176.65
REMARK 500 10 ARG A 150 -67.86 -138.60
REMARK 500
REMARK 500 THIS ENTRY HAS 117 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 GLY A 147 ASP A 148 1 -114.85
REMARK 500 ASP A 148 LYS A 149 2 148.01
REMARK 500 ASP A 148 LYS A 149 3 -128.08
REMARK 500 LYS A 149 ARG A 150 6 -140.87
REMARK 500 ARG A 150 LEU A 151 6 -131.09
REMARK 500 LYS A 149 ARG A 150 7 147.17
REMARK 500 GLY A 147 ASP A 148 9 -109.23
REMARK 500 GLY A 147 ASP A 148 10 -148.50
REMARK 500 LYS A 149 ARG A 150 10 -144.82
REMARK 500 ARG A 150 LEU A 151 10 -128.71
REMARK 500 LYS A 149 ARG A 150 11 -141.29
REMARK 500 ARG A 150 LEU A 151 11 -111.88
REMARK 500 ARG A 150 LEU A 151 12 -127.79
REMARK 500 ASP A 148 LYS A 149 13 -140.86
REMARK 500 LYS A 149 ARG A 150 13 118.71
REMARK 500 ASP A 148 LYS A 149 15 -138.19
REMARK 500 LYS A 149 ARG A 150 15 145.76
REMARK 500 ASP A 148 LYS A 149 17 -130.00
REMARK 500 LYS A 149 ARG A 150 19 -129.93
REMARK 500 ARG A 150 LEU A 151 19 -140.18
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 PHE A 162 0.08 SIDE CHAIN
REMARK 500 1 ARG A 177 0.08 SIDE CHAIN
REMARK 500 1 TYR A 204 0.09 SIDE CHAIN
REMARK 500 2 TYR A 204 0.07 SIDE CHAIN
REMARK 500 3 TYR A 204 0.10 SIDE CHAIN
REMARK 500 4 ARG A 177 0.10 SIDE CHAIN
REMARK 500 6 ARG A 177 0.08 SIDE CHAIN
REMARK 500 7 TYR A 204 0.06 SIDE CHAIN
REMARK 500 9 PHE A 162 0.09 SIDE CHAIN
REMARK 500 9 TYR A 204 0.07 SIDE CHAIN
REMARK 500 10 TYR A 129 0.07 SIDE CHAIN
REMARK 500 11 TYR A 204 0.10 SIDE CHAIN
REMARK 500 12 TYR A 204 0.07 SIDE CHAIN
REMARK 500 14 TYR A 204 0.07 SIDE CHAIN
REMARK 500 15 ARG A 160 0.10 SIDE CHAIN
REMARK 500 16 TYR A 204 0.10 SIDE CHAIN
REMARK 500 17 ARG A 160 0.09 SIDE CHAIN
REMARK 500 17 TYR A 204 0.06 SIDE CHAIN
REMARK 500 19 TYR A 204 0.06 SIDE CHAIN
REMARK 500 20 TYR A 204 0.07 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
REMARK 500
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 500 I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI ANGLE
REMARK 500 1 GLU A 132 -12.04
REMARK 500 2 GLU A 132 -10.66
REMARK 500 3 GLU A 132 -10.64
REMARK 500 4 GLU A 132 -10.44
REMARK 500 5 GLU A 132 -13.12
REMARK 500 6 GLU A 132 -10.19
REMARK 500 7 GLU A 132 -10.33
REMARK 500 9 GLU A 132 -10.79
REMARK 500 10 GLU A 132 -10.37
REMARK 500 11 GLU A 132 -11.80
REMARK 500 12 GLU A 132 -10.37
REMARK 500 14 GLU A 132 -11.30
REMARK 500 15 GLU A 132 -10.19
REMARK 500 16 GLU A 132 -11.16
REMARK 500 18 GLU A 132 -10.92
REMARK 500 19 GLU A 132 -10.19
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1P4W A 129 215 UNP P96320 P96320_ERWAM 129 215
SEQADV 1P4W MET A 117 UNP P96320 CLONING ARTIFACT
SEQADV 1P4W ARG A 118 UNP P96320 CLONING ARTIFACT
SEQADV 1P4W GLY A 119 UNP P96320 CLONING ARTIFACT
SEQADV 1P4W SER A 120 UNP P96320 CLONING ARTIFACT
SEQADV 1P4W HIS A 121 UNP P96320 EXPRESSION TAG
SEQADV 1P4W HIS A 122 UNP P96320 EXPRESSION TAG
SEQADV 1P4W HIS A 123 UNP P96320 EXPRESSION TAG
SEQADV 1P4W HIS A 124 UNP P96320 EXPRESSION TAG
SEQADV 1P4W HIS A 125 UNP P96320 EXPRESSION TAG
SEQADV 1P4W HIS A 126 UNP P96320 EXPRESSION TAG
SEQADV 1P4W GLY A 127 UNP P96320 CLONING ARTIFACT
SEQADV 1P4W SER A 128 UNP P96320 CLONING ARTIFACT
SEQRES 1 A 99 MET ARG GLY SER HIS HIS HIS HIS HIS HIS GLY SER TYR
SEQRES 2 A 99 THR PRO GLU SER VAL ALA LYS LEU LEU GLU LYS ILE SER
SEQRES 3 A 99 ALA GLY GLY TYR GLY ASP LYS ARG LEU SER PRO LYS GLU
SEQRES 4 A 99 SER GLU VAL LEU ARG LEU PHE ALA GLU GLY PHE LEU VAL
SEQRES 5 A 99 THR GLU ILE ALA LYS LYS LEU ASN ARG SER ILE LYS THR
SEQRES 6 A 99 ILE SER SER GLN LYS LYS SER ALA MET MET LYS LEU GLY
SEQRES 7 A 99 VAL ASP ASN ASP ILE ALA LEU LEU ASN TYR LEU SER SER
SEQRES 8 A 99 VAL SER MET THR PRO VAL ASP LYS
HELIX 1 1 GLU A 132 ALA A 143 1 12
HELIX 2 2 SER A 152 GLY A 165 1 14
HELIX 3 3 LEU A 167 ASN A 176 1 10
HELIX 4 4 SER A 178 GLY A 194 1 17
HELIX 5 5 ASN A 197 SER A 209 1 13
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - b 23 2 Bytes