Header list of 1ryk.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-DEC-03 1RYK
TITLE SOLUTION NMR STRUCTURE PROTEIN YJBJ FROM ESCHERICHIA COLI. NORTHEAST
TITLE 2 STRUCTURAL GENOMICS CONSORTIUM TARGET ET93; ONTARIO CENTRE FOR
TITLE 3 STRUCTURAL PROTEOMICS TARGET EC0298_1_69;
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN YJBJ;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562;
SOURCE 4 GENE: YJBJ, B4045, Z5644, ECS5028, SF4160, S3571;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET15B
KEYWDS ALPHA PROTEIN, STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE,
KEYWDS 2 OCSP, NESG, PSI, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, UNKNOWN
KEYWDS 3 FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR A.PINEDA-LUCENA,J.LIAO,B.WU,A.YEE,J.R.CORT,M.A.KENNEDY,A.M.EDWARDS,
AUTHOR 2 C.H.ARROWSMITH,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 5 02-MAR-22 1RYK 1 REMARK
REVDAT 4 24-FEB-09 1RYK 1 VERSN
REVDAT 3 25-JAN-05 1RYK 1 AUTHOR KEYWDS
REVDAT 2 12-OCT-04 1RYK 1 KEYWDS TITLE REMARK
REVDAT 1 24-FEB-04 1RYK 0
SPRSDE 24-FEB-04 1RYK 1JYG
JRNL AUTH A.PINEDA-LUCENA,J.LIAO,B.WU,A.YEE,J.R.CORT,M.A.KENNEDY,
JRNL AUTH 2 A.M.EDWARDS,C.H.ARROWSMITH
JRNL TITL AN NMR APPROACH TO STRUCTURAL PROTEOMICS.
JRNL REF PROTEINS V. 47 572 2002
JRNL REFN ISSN 0887-3585
JRNL PMID 11854485
JRNL DOI 10.1002/PROT.10120.ABS
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 2.1, CNS 1.0
REMARK 3 AUTHORS : DELAGLIO, F (NMRPIPE),
REMARK 3 BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,
REMARK 3 NILGES, PANNU,READ,RICE,SIMONSON,WARREN (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 2036 NOE-DERIVED DISTANCE CONSTRAINTS,
REMARK 3 101 DIHEDRAL ANGLE CONSTRAINTS, 62 HYDROGEN BONDS
REMARK 4
REMARK 4 1RYK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-DEC-03.
REMARK 100 THE DEPOSITION ID IS D_1000021152.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DYANA 1.5
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 SIMULATED ANNEALING, RESTRAINED
REMARK 210 MOLECULAR DYNAMIC SIMULATIONS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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: 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 ALA A 6 39.21 -93.05
REMARK 500 1 TRP A 21 -75.75 -94.82
REMARK 500 1 GLU A 33 -60.03 65.44
REMARK 500 1 ASN A 65 -66.89 -103.57
REMARK 500 1 GLU A 66 -1.80 78.04
REMARK 500 2 TRP A 21 -76.28 -102.27
REMARK 500 2 ILE A 32 -70.39 -71.72
REMARK 500 2 GLU A 33 -58.32 66.83
REMARK 500 2 GLU A 66 -1.71 83.85
REMARK 500 3 TRP A 21 -60.77 -105.57
REMARK 500 3 GLU A 33 -60.57 63.82
REMARK 500 3 GLU A 66 -44.44 78.29
REMARK 500 4 ALA A 6 144.98 66.75
REMARK 500 4 TRP A 21 -75.65 -102.46
REMARK 500 4 GLU A 33 -52.01 58.25
REMARK 500 4 ASN A 65 -61.87 -102.93
REMARK 500 4 GLU A 66 -17.93 71.70
REMARK 500 4 ARG A 68 -19.44 -147.36
REMARK 500 5 GLU A 33 -59.91 67.48
REMARK 500 5 GLU A 66 -46.16 78.90
REMARK 500 5 TYR A 67 108.87 -54.62
REMARK 500 5 ARG A 68 -51.47 172.94
REMARK 500 6 GLU A 33 -58.31 66.75
REMARK 500 6 GLU A 66 -2.52 87.49
REMARK 500 6 ARG A 68 -39.10 -157.77
REMARK 500 7 TRP A 21 -76.43 -94.69
REMARK 500 7 ILE A 32 -77.31 -82.33
REMARK 500 7 GLU A 33 -59.73 66.08
REMARK 500 7 GLU A 66 -44.11 78.91
REMARK 500 7 ARG A 68 -75.92 -168.78
REMARK 500 8 GLU A 33 -58.51 67.59
REMARK 500 8 GLU A 66 -31.46 80.36
REMARK 500 8 ARG A 68 -20.95 -148.95
REMARK 500 9 GLU A 33 -58.25 66.03
REMARK 500 9 ASN A 65 -71.52 -104.63
REMARK 500 9 GLU A 66 -3.42 73.31
REMARK 500 9 ARG A 68 -39.11 -154.68
REMARK 500 10 ILE A 32 -71.90 -85.68
REMARK 500 10 GLU A 33 -57.89 50.26
REMARK 500 10 GLU A 66 -1.37 80.56
REMARK 500 10 ARG A 68 -81.13 -139.11
REMARK 500 11 ALA A 6 91.65 -66.64
REMARK 500 11 TRP A 21 -74.62 -113.75
REMARK 500 11 GLU A 33 -57.95 65.58
REMARK 500 11 GLU A 66 -25.53 92.80
REMARK 500 12 ALA A 6 96.28 -48.33
REMARK 500 12 GLN A 20 -63.25 -90.17
REMARK 500 12 THR A 25 -167.35 -127.33
REMARK 500 12 ILE A 32 -81.21 -90.06
REMARK 500 12 GLU A 33 -47.95 54.20
REMARK 500
REMARK 500 THIS ENTRY HAS 78 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 5105 RELATED DB: BMRB
REMARK 900 RELATED ID: 1JYG RELATED DB: PDB
REMARK 900 RELATED ID: ET93 RELATED DB: TARGETDB
DBREF 1RYK A 1 69 UNP P68206 YJBJ_ECOLI 1 69
SEQRES 1 A 69 MET ASN LYS ASP GLU ALA GLY GLY ASN TRP LYS GLN PHE
SEQRES 2 A 69 LYS GLY LYS VAL LYS GLU GLN TRP GLY LYS LEU THR ASP
SEQRES 3 A 69 ASP ASP MET THR ILE ILE GLU GLY LYS ARG ASP GLN LEU
SEQRES 4 A 69 VAL GLY LYS ILE GLN GLU ARG TYR GLY TYR GLN LYS ASP
SEQRES 5 A 69 GLN ALA GLU LYS GLU VAL VAL ASP TRP GLU THR ARG ASN
SEQRES 6 A 69 GLU TYR ARG TRP
HELIX 1 1 GLY A 8 TRP A 21 1 14
HELIX 2 2 THR A 25 GLU A 33 1 9
HELIX 3 3 LYS A 35 TYR A 47 1 13
HELIX 4 4 GLN A 50 GLU A 66 1 17
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