Header list of 1wh6.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSCRIPTION 28-MAY-04 1WH6
TITLE SOLUTION STRUCTURE OF THE SECOND CUT DOMAIN OF HUMAN HOMEOBOX PROTEIN
TITLE 2 CUX-2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HOMEOBOX PROTEIN CUX-2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: CUT DOMAIN;
COMPND 5 SYNONYM: CUT-LIKE 2;
COMPND 6 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: KAZUSA CDNA HG03205;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040114-61;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS CUT DOMAIN, STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 2 INITIATIVE, RSGI, TRANSCRIPTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR N.NAMEKI,N.TOCHIO,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WH6 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WH6 1 VERSN
REVDAT 1 28-NOV-04 1WH6 0
JRNL AUTH N.NAMEKI,N.TOCHIO,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE SECOND CUT DOMAIN OF HUMAN
JRNL TITL 2 HOMEOBOX PROTEIN CUX-2
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, OPALP
REMARK 3 AUTHORS : BRUKER (XWINNMR), KORADI, R.,BILLETER,
REMARK 3 M.,GUENTERT, P. (OPALP)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WH6 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023576.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 296
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.3MM CUT DOMAIN U-15N, 13C;
REMARK 210 20MM PHOSPHATE BUFFER NA (PH 6.0)
REMARK 210 ; 100MM NACL; 1MM D-DTT; 0.02%
REMARK 210 NAN3; 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.901, CYANA 1.0.7
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 RESTRAINED MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY, TARGET
REMARK 210 FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
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 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 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 11 ARG A 24 CD - NE - CZ ANGL. DEV. = 8.5 DEGREES
REMARK 500 12 ARG A 70 NE - CZ - NH2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 17 ARG A 75 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 18 ARG A 38 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES
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 SER A 3 83.70 -153.57
REMARK 500 1 SER A 5 -59.21 75.68
REMARK 500 1 LYS A 43 -61.61 -90.50
REMARK 500 1 GLN A 83 -3.55 59.67
REMARK 500 1 LEU A 84 70.91 39.86
REMARK 500 1 GLN A 86 -75.95 -65.47
REMARK 500 1 ALA A 94 160.30 140.35
REMARK 500 2 SER A 2 149.40 -170.22
REMARK 500 2 SER A 5 -72.57 -163.01
REMARK 500 2 SER A 6 -87.10 -143.21
REMARK 500 2 GLN A 8 175.07 58.83
REMARK 500 2 GLN A 83 -3.60 54.58
REMARK 500 2 LEU A 84 95.21 54.97
REMARK 500 2 GLN A 86 -55.08 -148.32
REMARK 500 2 SER A 99 72.62 43.08
REMARK 500 3 ARG A 15 -156.16 -113.29
REMARK 500 3 GLN A 83 -28.29 100.27
REMARK 500 3 LEU A 84 -68.34 44.71
REMARK 500 3 ALA A 87 -164.34 -175.00
REMARK 500 3 VAL A 88 145.82 76.41
REMARK 500 3 SER A 96 100.68 35.09
REMARK 500 4 SER A 3 77.02 58.79
REMARK 500 4 SER A 6 97.32 -64.47
REMARK 500 4 GLN A 8 -173.41 43.96
REMARK 500 4 TYR A 14 -60.24 -124.31
REMARK 500 4 GLN A 83 11.42 51.87
REMARK 500 4 LEU A 84 71.25 36.00
REMARK 500 4 GLN A 86 -75.32 -139.52
REMARK 500 4 SER A 95 114.34 -166.12
REMARK 500 4 SER A 96 75.68 40.86
REMARK 500 4 SER A 99 -27.60 73.62
REMARK 500 5 SER A 3 62.28 -69.99
REMARK 500 5 GLN A 8 -165.10 53.63
REMARK 500 5 VAL A 44 -70.46 -74.79
REMARK 500 5 GLN A 83 0.54 56.80
REMARK 500 5 LEU A 84 79.08 48.18
REMARK 500 5 ALA A 87 59.15 -167.24
REMARK 500 5 GLN A 90 113.36 85.22
REMARK 500 5 GLN A 91 163.14 65.49
REMARK 500 5 SER A 95 54.50 -141.36
REMARK 500 6 SER A 2 173.86 63.59
REMARK 500 6 SER A 3 -69.57 -149.44
REMARK 500 6 SER A 5 85.79 -159.41
REMARK 500 6 GLN A 83 -10.06 61.45
REMARK 500 6 LEU A 84 74.63 45.36
REMARK 500 6 ALA A 87 105.30 -170.07
REMARK 500 6 SER A 100 -162.91 53.11
REMARK 500 7 SER A 5 159.69 69.52
REMARK 500 7 ARG A 15 -155.73 -125.06
REMARK 500 7 VAL A 44 -72.80 -76.88
REMARK 500
REMARK 500 THIS ENTRY HAS 148 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 SER A 100 GLY A 101 1 -128.38
REMARK 500 GLY A 1 SER A 2 4 141.30
REMARK 500 SER A 100 GLY A 101 9 146.12
REMARK 500 SER A 100 GLY A 101 10 127.70
REMARK 500 SER A 100 GLY A 101 13 -147.56
REMARK 500 SER A 100 GLY A 101 19 -137.25
REMARK 500 GLN A 83 LEU A 84 20 -148.02
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 TYR A 12 0.10 SIDE CHAIN
REMARK 500 1 TYR A 14 0.10 SIDE CHAIN
REMARK 500 1 ARG A 38 0.08 SIDE CHAIN
REMARK 500 2 TYR A 14 0.07 SIDE CHAIN
REMARK 500 2 ARG A 15 0.10 SIDE CHAIN
REMARK 500 4 ARG A 24 0.09 SIDE CHAIN
REMARK 500 6 ARG A 15 0.10 SIDE CHAIN
REMARK 500 6 ARG A 24 0.08 SIDE CHAIN
REMARK 500 7 ARG A 38 0.08 SIDE CHAIN
REMARK 500 11 TYR A 9 0.09 SIDE CHAIN
REMARK 500 12 ARG A 75 0.10 SIDE CHAIN
REMARK 500 13 ARG A 24 0.10 SIDE CHAIN
REMARK 500 15 TYR A 12 0.07 SIDE CHAIN
REMARK 500 15 ARG A 58 0.08 SIDE CHAIN
REMARK 500 16 TYR A 9 0.07 SIDE CHAIN
REMARK 500 16 TYR A 12 0.07 SIDE CHAIN
REMARK 500 19 ARG A 58 0.11 SIDE CHAIN
REMARK 500 20 TYR A 12 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002100285.1 RELATED DB: TARGETDB
DBREF 1WH6 A 8 95 UNP O14529 CUTL2_HUMAN 906 993
SEQADV 1WH6 GLY A 1 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 SER A 2 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 SER A 3 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 GLY A 4 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 SER A 5 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 SER A 6 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 GLY A 7 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 SER A 96 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 GLY A 97 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 PRO A 98 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 SER A 99 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 SER A 100 UNP O14529 CLONING ARTIFACT
SEQADV 1WH6 GLY A 101 UNP O14529 CLONING ARTIFACT
SEQRES 1 A 101 GLY SER SER GLY SER SER GLY GLN TYR GLU LEU TYR MET
SEQRES 2 A 101 TYR ARG GLU VAL ASP THR LEU GLU LEU THR ARG GLN VAL
SEQRES 3 A 101 LYS GLU LYS LEU ALA LYS ASN GLY ILE CYS GLN ARG ILE
SEQRES 4 A 101 PHE GLY GLU LYS VAL LEU GLY LEU SER GLN GLY SER VAL
SEQRES 5 A 101 SER ASP MET LEU SER ARG PRO LYS PRO TRP SER LYS LEU
SEQRES 6 A 101 THR GLN LYS GLY ARG GLU PRO PHE ILE ARG MET GLN LEU
SEQRES 7 A 101 TRP LEU SER ASP GLN LEU GLY GLN ALA VAL GLY GLN GLN
SEQRES 8 A 101 PRO GLY ALA SER SER GLY PRO SER SER GLY
HELIX 1 1 TYR A 9 ARG A 15 1 7
HELIX 2 2 ASP A 18 LYS A 32 1 15
HELIX 3 3 CYS A 36 VAL A 44 1 9
HELIX 4 4 SER A 48 ARG A 58 1 11
HELIX 5 5 THR A 66 GLN A 83 1 18
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 - r 2 2 Bytes