Header list of 1l8z.pdb file
Complete list - 21 20 Bytes
HEADER DNA BINDING PROTEIN 22-MAR-02 1L8Z
TITLE SOLUTION STRUCTURE OF HMG BOX 5 IN HUMAN UPSTREAM BINDING FACTOR
CAVEAT 1L8Z THERE ARE SEVERAL CHIRALITY ERRORS IN CHAIN A
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: UPSTREAM BINDING FACTOR 1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: HMG BOX 5 DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: HSUBF;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL2(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-22B
KEYWDS HUBF, HMG BOX 5, DNA BINDING DOMAIN, DNA BINDING PROTEIN
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR W.YANG,Y.XU,J.WU,W.ZENG,Y.SHI
REVDAT 5 21-DEC-22 1L8Z 1 SEQADV
REVDAT 4 23-FEB-22 1L8Z 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1L8Z 1 VERSN
REVDAT 2 24-JUN-03 1L8Z 1 JRNL
REVDAT 1 05-JUN-02 1L8Z 0
JRNL AUTH W.YANG,Y.XU,J.WU,W.ZENG,Y.SHI
JRNL TITL SOLUTION STRUCTURE AND DNA BINDING PROPERTY OF THE FIFTH HMG
JRNL TITL 2 BOX DOMAIN IN COMPARISON WITH THE FIRST HMG BOX DOMAIN IN
JRNL TITL 3 HUMAN UPSTREAM BINDING FACTOR
JRNL REF BIOCHEMISTRY V. 42 1930 2003
JRNL REFN ISSN 0006-2960
JRNL PMID 12590579
JRNL DOI 10.1021/BI026372X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPP, CNS
REMARK 3 AUTHORS : F.DELAGIO AND A.BAX (NMRPIPP), A.T.BRUNGER (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURES ARE BASED ON THE TOTAL NUMBER CONSTRAINTS OF 1220,
REMARK 3 INCLUDING 1098 NOE-DERIVED DISTANCE CONSTRAINTS, 104 DIHEDRAL
REMARK 3 ANGLE CONSTRAINTS, 18 HYDROGEN BOND CONSTRAINTS.
REMARK 3 NO PEPTIDE BOND LINKING BETWEEN RESIDUES 82 AND 83 RESULTS FROM
REMARK 3 DISORDER IN THE TAIL REGION OF THE PROTEIN AND LACK OF RESTRAINTS.
REMARK 4
REMARK 4 1L8Z COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-MAR-02.
REMARK 100 THE DEPOSITION ID IS D_1000015755.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300
REMARK 210 PH : 5.5
REMARK 210 IONIC STRENGTH : 45 MM NAPO4
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 3MM HUBF HMG BOX 5, U-15N, 13C;
REMARK 210 45MM NAPO4; 3MM HUBF HMG BOX 5,
REMARK 210 U-15N, 13C; 45MM NAPO4
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : PIPP, CNS 1.0
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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 RES C SSSEQI
REMARK 465 MET A 0
REMARK 465 HIS A 85
REMARK 465 HIS A 86
REMARK 465 HIS A 87
REMARK 465 HIS A 88
REMARK 465 HIS A 89
REMARK 465 HIS A 90
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME;
REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 470 RES CSSEQI ATOMS
REMARK 470 GLU A 84 O
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 CA SER A 79 N SER A 80 0.69
REMARK 500 HD3 LYS A 2 HD3 PRO A 4 1.19
REMARK 500 HB3 LYS A 81 HB2 LEU A 83 1.27
REMARK 500 HB2 LYS A 81 HE2 LYS A 82 1.27
REMARK 500 HA ALA A 72 HB3 ALA A 75 1.27
REMARK 500 HB1 ALA A 10 HZ3 TRP A 41 1.28
REMARK 500 HB3 SER A 80 H LYS A 81 1.29
REMARK 500 HB2 LYS A 2 HA LEU A 67 1.30
REMARK 500 C ALA A 75 H ALA A 76 1.30
REMARK 500 HA ALA A 75 HB2 SER A 79 1.34
REMARK 500 HG2 PRO A 7 HA GLN A 60 1.35
REMARK 500 OG SER A 80 HZ3 LYS A 82 1.44
REMARK 500 O SER A 68 H ARG A 71 1.48
REMARK 500 O PRO A 74 HB3 SER A 80 1.55
REMARK 500 O ASP A 29 H LYS A 32 1.56
REMARK 500 HB2 LYS A 82 N LEU A 83 1.56
REMARK 500 HA SER A 79 N SER A 80 1.57
REMARK 500 O MET A 39 HD21 ASN A 43 1.57
REMARK 500 O PRO A 74 HB2 SER A 80 1.59
REMARK 500 O PRO A 74 CA ALA A 76 1.83
REMARK 500 O PRO A 74 N ALA A 76 1.90
REMARK 500 O PRO A 74 CB SER A 80 1.96
REMARK 500 C PRO A 74 O ALA A 76 1.97
REMARK 500 O ASN A 78 O SER A 80 1.98
REMARK 500 C PRO A 74 N ALA A 76 2.02
REMARK 500 O LYS A 81 CD2 LEU A 83 2.07
REMARK 500 O ALA A 72 CB ALA A 76 2.13
REMARK 500 CB SER A 80 NZ LYS A 82 2.15
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 GLY A 1 C LYS A 2 N -0.162
REMARK 500 LYS A 2 CA LYS A 2 CB -0.145
REMARK 500 PRO A 4 CD PRO A 4 N -0.132
REMARK 500 PRO A 4 CA PRO A 4 C -0.177
REMARK 500 GLU A 5 N GLU A 5 CA -0.191
REMARK 500 GLU A 5 CA GLU A 5 CB -0.144
REMARK 500 LYS A 61 CB LYS A 61 CG -0.177
REMARK 500 TYR A 63 N TYR A 63 CA -0.182
REMARK 500 TYR A 63 CB TYR A 63 CG -0.178
REMARK 500 TYR A 63 CG TYR A 63 CD1 -0.085
REMARK 500 ARG A 65 CG ARG A 65 CD -0.162
REMARK 500 ARG A 65 CD ARG A 65 NE -0.138
REMARK 500 ARG A 65 NE ARG A 65 CZ -0.092
REMARK 500 ARG A 71 N ARG A 71 CA -0.161
REMARK 500 ARG A 71 CA ARG A 71 CB -0.291
REMARK 500 ARG A 71 CB ARG A 71 CG -0.245
REMARK 500 ARG A 71 CG ARG A 71 CD -0.266
REMARK 500 ARG A 71 CD ARG A 71 NE -0.194
REMARK 500 ARG A 71 NE ARG A 71 CZ -0.138
REMARK 500 ARG A 71 CA ARG A 71 C -0.222
REMARK 500 ARG A 71 C ALA A 72 N -0.176
REMARK 500 ALA A 72 N ALA A 72 CA -0.330
REMARK 500 ALA A 72 C PRO A 73 N 0.120
REMARK 500 PRO A 74 CA PRO A 74 CB 0.129
REMARK 500 PRO A 74 CD PRO A 74 N 0.165
REMARK 500 PRO A 74 CA PRO A 74 C 0.317
REMARK 500 PRO A 74 C PRO A 74 O 1.018
REMARK 500 ALA A 75 N ALA A 75 CA 0.231
REMARK 500 ALA A 75 CA ALA A 75 CB -0.134
REMARK 500 ALA A 75 CA ALA A 75 C 0.340
REMARK 500 ALA A 76 N ALA A 76 CA 0.808
REMARK 500 ALA A 76 CA ALA A 76 CB -0.321
REMARK 500 ALA A 76 CA ALA A 76 C 0.327
REMARK 500 THR A 77 N THR A 77 CA 0.188
REMARK 500 THR A 77 CB THR A 77 CG2 -0.246
REMARK 500 ASN A 78 CG ASN A 78 OD1 0.202
REMARK 500 ASN A 78 CA ASN A 78 C 0.300
REMARK 500 SER A 79 N SER A 79 CA 0.666
REMARK 500 SER A 79 CA SER A 79 CB 0.815
REMARK 500 SER A 79 CB SER A 79 OG 0.271
REMARK 500 SER A 79 CA SER A 79 C -0.264
REMARK 500 SER A 79 C SER A 79 O 0.430
REMARK 500 SER A 79 C SER A 80 N 0.301
REMARK 500 SER A 80 N SER A 80 CA 0.349
REMARK 500 SER A 80 CB SER A 80 OG 0.171
REMARK 500 SER A 80 CA SER A 80 C -0.503
REMARK 500 SER A 80 C SER A 80 O 0.384
REMARK 500 LYS A 81 CA LYS A 81 CB 0.198
REMARK 500 LYS A 81 CD LYS A 81 CE -0.167
REMARK 500 LYS A 81 CA LYS A 81 C 0.424
REMARK 500
REMARK 500 THIS ENTRY HAS 61 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 LYS A 2 N - CA - CB ANGL. DEV. = -17.5 DEGREES
REMARK 500 LYS A 2 CB - CG - CD ANGL. DEV. = -21.7 DEGREES
REMARK 500 LEU A 3 CB - CA - C ANGL. DEV. = -26.9 DEGREES
REMARK 500 LEU A 3 N - CA - CB ANGL. DEV. = -19.1 DEGREES
REMARK 500 LEU A 3 CB - CG - CD2 ANGL. DEV. = -11.1 DEGREES
REMARK 500 ASN A 43 N - CA - CB ANGL. DEV. = 12.3 DEGREES
REMARK 500 ASN A 43 CA - CB - CG ANGL. DEV. = 14.0 DEGREES
REMARK 500 ARG A 62 CD - NE - CZ ANGL. DEV. = -9.9 DEGREES
REMARK 500 ARG A 62 NE - CZ - NH1 ANGL. DEV. = -7.2 DEGREES
REMARK 500 ARG A 62 NE - CZ - NH2 ANGL. DEV. = 3.5 DEGREES
REMARK 500 TYR A 63 N - CA - CB ANGL. DEV. = -10.9 DEGREES
REMARK 500 TYR A 63 CB - CG - CD1 ANGL. DEV. = -6.5 DEGREES
REMARK 500 ARG A 65 CD - NE - CZ ANGL. DEV. = -11.8 DEGREES
REMARK 500 ARG A 65 NH1 - CZ - NH2 ANGL. DEV. = 7.5 DEGREES
REMARK 500 ARG A 65 NE - CZ - NH2 ANGL. DEV. = -5.1 DEGREES
REMARK 500 LEU A 67 CA - CB - CG ANGL. DEV. = 15.3 DEGREES
REMARK 500 MET A 70 CA - CB - CG ANGL. DEV. = -13.2 DEGREES
REMARK 500 MET A 70 CG - SD - CE ANGL. DEV. = -17.0 DEGREES
REMARK 500 ARG A 71 CA - CB - CG ANGL. DEV. = -16.6 DEGREES
REMARK 500 ARG A 71 NH1 - CZ - NH2 ANGL. DEV. = 9.1 DEGREES
REMARK 500 ARG A 71 NE - CZ - NH2 ANGL. DEV. = -6.4 DEGREES
REMARK 500 ALA A 72 CB - CA - C ANGL. DEV. = 21.6 DEGREES
REMARK 500 ALA A 72 N - CA - CB ANGL. DEV. = -15.2 DEGREES
REMARK 500 PRO A 73 N - CA - C ANGL. DEV. = -16.1 DEGREES
REMARK 500 PRO A 74 CB - CA - C ANGL. DEV. = 21.4 DEGREES
REMARK 500 PRO A 74 N - CA - CB ANGL. DEV. = -17.6 DEGREES
REMARK 500 PRO A 74 CA - C - O ANGL. DEV. = 18.6 DEGREES
REMARK 500 ALA A 75 CA - C - N ANGL. DEV. = -20.5 DEGREES
REMARK 500 ALA A 76 C - N - CA ANGL. DEV. = 37.4 DEGREES
REMARK 500 ALA A 76 CA - C - N ANGL. DEV. = 18.7 DEGREES
REMARK 500 ALA A 76 O - C - N ANGL. DEV. = -19.7 DEGREES
REMARK 500 THR A 77 CA - CB - CG2 ANGL. DEV. = -12.0 DEGREES
REMARK 500 THR A 77 N - CA - C ANGL. DEV. = 26.8 DEGREES
REMARK 500 THR A 77 CA - C - N ANGL. DEV. = -14.8 DEGREES
REMARK 500 ASN A 78 CB - CA - C ANGL. DEV. = -25.2 DEGREES
REMARK 500 ASN A 78 N - CA - CB ANGL. DEV. = 28.2 DEGREES
REMARK 500 SER A 79 CB - CA - C ANGL. DEV. = -21.3 DEGREES
REMARK 500 SER A 79 N - CA - CB ANGL. DEV. = 23.2 DEGREES
REMARK 500 SER A 79 CA - CB - OG ANGL. DEV. = 20.9 DEGREES
REMARK 500 SER A 79 CA - C - N ANGL. DEV. = -94.2 DEGREES
REMARK 500 SER A 80 C - N - CA ANGL. DEV. = 48.0 DEGREES
REMARK 500 SER A 80 CB - CA - C ANGL. DEV. = 21.6 DEGREES
REMARK 500 SER A 80 CA - CB - OG ANGL. DEV. = 37.9 DEGREES
REMARK 500 SER A 80 N - CA - C ANGL. DEV. = -40.3 DEGREES
REMARK 500 SER A 80 CA - C - N ANGL. DEV. = -22.8 DEGREES
REMARK 500 SER A 80 O - C - N ANGL. DEV. = 31.5 DEGREES
REMARK 500 LYS A 81 C - N - CA ANGL. DEV. = 25.5 DEGREES
REMARK 500 LYS A 81 CA - CB - CG ANGL. DEV. = 15.9 DEGREES
REMARK 500 LYS A 81 CB - CG - CD ANGL. DEV. = 23.5 DEGREES
REMARK 500 LYS A 81 CG - CD - CE ANGL. DEV. = 31.6 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 62 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 LYS A 2 -151.25 -100.03
REMARK 500 PRO A 4 -75.13 -44.80
REMARK 500 GLU A 5 -110.94 -131.93
REMARK 500 SER A 6 72.35 128.08
REMARK 500 PRO A 7 -160.07 -53.64
REMARK 500 LYS A 8 27.75 -155.28
REMARK 500 ARG A 9 -90.60 49.90
REMARK 500 ALA A 10 -80.23 -70.70
REMARK 500 ILE A 19 -36.49 -35.66
REMARK 500 LYS A 27 60.40 61.94
REMARK 500 ASN A 28 35.43 107.58
REMARK 500 ARG A 30 -49.46 -18.92
REMARK 500 GLU A 45 -166.13 88.91
REMARK 500 LYS A 49 -72.81 -33.60
REMARK 500 LEU A 67 -79.59 -67.32
REMARK 500 SER A 68 -56.71 -28.39
REMARK 500 GLU A 69 -47.46 -23.53
REMARK 500 ALA A 76 -163.18 -126.50
REMARK 500 ASN A 78 56.63 164.46
REMARK 500 SER A 79 -105.15 -120.95
REMARK 500 SER A 80 95.29 175.18
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 THR A 77 ASN A 78 149.23
REMARK 500 SER A 79 SER A 80 -129.62
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 ARG A 62 0.09 SIDE CHAIN
REMARK 500 ARG A 65 0.24 SIDE CHAIN
REMARK 500 ASN A 78 0.14 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 ALA A 75 -13.82
REMARK 500 THR A 77 -17.48
REMARK 500 ASN A 78 12.13
REMARK 500 SER A 79 33.24
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1L8Y RELATED DB: PDB
REMARK 900 1L8Y CONTAINS 24 STRUCTURES OF THE SAME PROTEIN
DBREF 1L8Z A 1 82 UNP P17480 UBF1_HUMAN 479 560
SEQADV 1L8Z MET A 0 UNP P17480 INITIATING METHIONINE
SEQADV 1L8Z LEU A 83 UNP P17480 EXPRESSION TAG
SEQADV 1L8Z GLU A 84 UNP P17480 EXPRESSION TAG
SEQADV 1L8Z HIS A 85 UNP P17480 EXPRESSION TAG
SEQADV 1L8Z HIS A 86 UNP P17480 EXPRESSION TAG
SEQADV 1L8Z HIS A 87 UNP P17480 EXPRESSION TAG
SEQADV 1L8Z HIS A 88 UNP P17480 EXPRESSION TAG
SEQADV 1L8Z HIS A 89 UNP P17480 EXPRESSION TAG
SEQADV 1L8Z HIS A 90 UNP P17480 EXPRESSION TAG
SEQRES 1 A 91 MET GLY LYS LEU PRO GLU SER PRO LYS ARG ALA GLU GLU
SEQRES 2 A 91 ILE TRP GLN GLN SER VAL ILE GLY ASP TYR LEU ALA ARG
SEQRES 3 A 91 PHE LYS ASN ASP ARG VAL LYS ALA LEU LYS ALA MET GLU
SEQRES 4 A 91 MET THR TRP ASN ASN MET GLU LYS LYS GLU LYS LEU MET
SEQRES 5 A 91 TRP ILE LYS LYS ALA ALA GLU ASP GLN LYS ARG TYR GLU
SEQRES 6 A 91 ARG GLU LEU SER GLU MET ARG ALA PRO PRO ALA ALA THR
SEQRES 7 A 91 ASN SER SER LYS LYS LEU GLU HIS HIS HIS HIS HIS HIS
HELIX 1 1 ARG A 9 LYS A 27 1 19
HELIX 2 2 ASP A 29 ASN A 43 1 15
HELIX 3 3 MET A 44 LYS A 46 5 3
HELIX 4 4 LYS A 47 ARG A 71 1 25
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
Complete list - 21 20 Bytes