Header list of 1e0m.pdb file
Complete list - 28 20 Bytes
HEADER DE NOVO PROTEIN 01-APR-00 1E0M
TITLE PROTOTYPE WW DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: WWPROTOTYPE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
SOURCE 3 ORGANISM_TAXID: 32630;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 OTHER_DETAILS: SYNTHETIC GENE
KEYWDS SH3 PROTOTYPE, WWPROTOTYPE, PROTEIN DESIGN, DE NOVO
KEYWDS 2 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR M.J.MACIAS,V.GERVAIS,C.CIVERA,H.OSCHKINAT
REVDAT 6 28-OCT-15 1E0M 1 SOURCE REMARK VERSN
REVDAT 5 04-AUG-09 1E0M 1 HEADER KEYWDS REVDAT REMARK
REVDAT 4 24-FEB-09 1E0M 1 VERSN
REVDAT 3 21-JUN-00 1E0M 1 SOURCE
REVDAT 2 08-JUN-00 1E0M 1 ATOM
REVDAT 1 20-APR-00 1E0M 0
JRNL AUTH M.J.MACIAS,V.GERVAIS,C.CIVERA,H.OSCHKINAT
JRNL TITL STRUCTURAL ANALYSIS OF WW DOMAINS AND DESIGN OF A
JRNL TITL 2 WW PROTOTYPE
JRNL REF NAT.STRUCT.BIOL. V. 7 375 2000
JRNL REFN ISSN 1072-8368
JRNL PMID 10802733
JRNL DOI 10.1038/75144
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : ARIA
REMARK 3 AUTHORS : LINGE, O'DONOGHUE AND NILGES
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1E0M COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 03-APR-00.
REMARK 100 THE PDBE ID CODE IS EBI-4804.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 295
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY,ARIA/CNS
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: HOMONUCLEAR NMR
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 IN SAME ASYMMETRIC UNIT
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 HG1 THR A 13 - HG2 LYS A 17 1.49
REMARK 500 HA TYR A 19 - HA TRP A 30 1.56
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 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 5 164.74 -48.55
REMARK 500 1 THR A 13 -157.37 -75.33
REMARK 500 1 LYS A 26 70.50 54.74
REMARK 500 1 MET A 35 -87.43 -89.12
REMARK 500 2 PRO A 5 167.55 -49.82
REMARK 500 2 THR A 13 -161.39 -72.82
REMARK 500 2 ARG A 34 -33.31 -38.68
REMARK 500 3 THR A 13 -161.97 -79.05
REMARK 500 3 THR A 18 79.28 -66.14
REMARK 500 3 LYS A 26 71.95 48.70
REMARK 500 3 SER A 36 39.88 -152.43
REMARK 500 4 PRO A 5 164.64 -48.37
REMARK 500 4 THR A 13 -164.27 -77.08
REMARK 500 4 THR A 18 77.56 -67.36
REMARK 500 4 LYS A 26 74.21 52.95
REMARK 500 4 SER A 36 33.90 -99.83
REMARK 500 5 THR A 13 -169.88 -75.40
REMARK 500 5 THR A 18 79.60 -66.45
REMARK 500 5 LYS A 26 71.72 51.34
REMARK 500 5 MET A 35 83.77 45.21
REMARK 500 6 PRO A 5 163.66 -48.14
REMARK 500 6 THR A 13 -162.70 -74.77
REMARK 500 6 THR A 18 80.30 -65.65
REMARK 500 6 LYS A 26 73.53 53.58
REMARK 500 6 MET A 35 87.13 44.32
REMARK 500 7 THR A 13 -163.15 -75.47
REMARK 500 7 THR A 18 75.34 -69.39
REMARK 500 7 MET A 35 -73.58 -86.58
REMARK 500 8 THR A 13 -95.23 -65.56
REMARK 500 8 HIS A 14 -65.22 -123.64
REMARK 500 8 THR A 18 79.41 -66.46
REMARK 500 8 LYS A 26 70.78 48.06
REMARK 500 8 MET A 35 -169.03 -126.36
REMARK 500 8 SER A 36 102.83 -162.64
REMARK 500 9 THR A 13 -161.31 -79.59
REMARK 500 9 THR A 18 78.00 -68.19
REMARK 500 9 LYS A 26 71.20 48.46
REMARK 500 9 MET A 35 -164.47 -73.28
REMARK 500 10 PRO A 5 164.45 -48.92
REMARK 500 10 THR A 13 -166.74 -68.09
REMARK 500 10 LYS A 26 72.01 50.91
REMARK 500 10 MET A 35 -81.99 -82.63
REMARK 500 10 SER A 36 -75.02 -124.63
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1E0L RELATED DB: PDB
REMARK 900 FBP28WW DOMAIN FROM MUS MUSCULUS
REMARK 900 RELATED ID: 1E0N RELATED DB: PDB
REMARK 900 YJQ8WW DOMAIN FROM SACCHAROMYCES CEREVISAE
REMARK 900 RELATED ID: 4713 RELATED DB: BMRB
REMARK 900 NMR RESTRAINTS FOR ENTRY 1E0M
DBREF 1E0M A 1 37 PDB 1E0M 1E0M 1 37
SEQRES 1 A 37 SER MET GLY LEU PRO PRO GLY TRP ASP GLU TYR LYS THR
SEQRES 2 A 37 HIS ASN GLY LYS THR TYR TYR TYR ASN HIS ASN THR LYS
SEQRES 3 A 37 THR SER THR TRP THR ASP PRO ARG MET SER SER
SHEET 1 A 3 TRP A 8 THR A 13 0
SHEET 2 A 3 LYS A 17 HIS A 23 -1 O TYR A 19 N TYR A 11
SHEET 3 A 3 LYS A 26 TRP A 30 -1 O THR A 27 N ASN A 22
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 - 28 20 Bytes