Header list of 1m4q.pdb file
Complete list - b 23 2 Bytes
HEADER PEPTIDE BINDING PROTEIN 03-JUL-02 1M4Q
TITLE STRUCTURE OF THE TSG101 UEV DOMAIN IN COMPLEX WITH A HIV-1 PTAP "LATE
TITLE 2 DOMAIN" PEPTIDE, CNS ENSEMBLE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TUMOR SUSCEPTIBILITY GENE 101 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MOL_ID: 2;
COMPND 6 MOLECULE: GAG POLYPROTEIN;
COMPND 7 CHAIN: B;
COMPND 8 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: TUMOR SUSCEPTIBILITY GENE 101;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET11D;
SOURCE 11 MOL_ID: 2;
SOURCE 12 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;
SOURCE 13 ORGANISM_TAXID: 11676;
SOURCE 14 STRAIN: NL4-3;
SOURCE 15 GENE: GAG;
SOURCE 16 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 17 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 20 EXPRESSION_SYSTEM_PLASMID: PAED4
KEYWDS TSG101 UEV DOMAIN, VIRUS BUDDING, VACUOLAR PROTEIN SORTING, LATE
KEYWDS 2 DOMAIN, PEPTIDE BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR O.PORNILLOS,S.L.ALAM,D.R.DAVIS,W.I.SUNDQUIST
REVDAT 3 23-FEB-22 1M4Q 1 REMARK
REVDAT 2 24-FEB-09 1M4Q 1 VERSN
REVDAT 1 06-NOV-02 1M4Q 0
JRNL AUTH O.PORNILLOS,S.L.ALAM,D.R.DAVIS,W.I.SUNDQUIST
JRNL TITL STRUCTURE OF THE TSG101 UEV DOMAIN IN COMPLEX WITH THE PTAP
JRNL TITL 2 MOTIF OF THE HIV-1 P6 PROTEIN
JRNL REF NAT.STRUCT.BIOL. V. 9 812 2002
JRNL REFN ISSN 1072-8368
JRNL PMID 12379843
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA, CNS
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE
REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,
REMARK 3 SIMONSON,WARREN (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 200 STRUCTURES WERE CALCULATED WITH
REMARK 3 DYANA; BEST 20 REGULARIZED WITH CNS
REMARK 4
REMARK 4 1M4Q COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JUL-02.
REMARK 100 THE DEPOSITION ID IS D_1000016595.
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 : NULL
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 : NULL
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS DISTANCE
REMARK 210 GEOMETRY SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
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 : 8
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 1
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 O PRO B 207 H ALA B 209 1.59
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 VAL A 12 -81.98 -105.07
REMARK 500 1 LYS A 14 -1.28 -153.38
REMARK 500 1 PHE A 44 -67.07 -146.52
REMARK 500 1 ASN A 45 85.37 -56.18
REMARK 500 1 TYR A 63 -161.32 -101.86
REMARK 500 1 THR A 79 41.47 171.94
REMARK 500 1 TYR A 82 -40.18 -158.12
REMARK 500 1 ALA A 105 -26.76 173.39
REMARK 500 1 LEU A 111 149.12 68.93
REMARK 500 1 TYR A 113 -80.03 63.97
REMARK 500 1 TRP A 117 -86.46 -75.18
REMARK 500 1 GLN A 121 -53.50 70.48
REMARK 500 1 PRO B 207 -79.47 -93.14
REMARK 500 1 THR B 208 -55.87 65.04
REMARK 500 1 ALA B 209 158.59 90.52
REMARK 500 1 GLU B 212 -138.56 -151.83
REMARK 500 2 VAL A 12 -85.08 -102.57
REMARK 500 2 SER A 13 -54.70 66.59
REMARK 500 2 TYR A 17 49.98 -140.27
REMARK 500 2 LYS A 33 -8.31 80.88
REMARK 500 2 PHE A 44 -67.44 -148.96
REMARK 500 2 ASN A 45 83.96 -58.76
REMARK 500 2 TYR A 63 -168.76 -110.72
REMARK 500 2 THR A 79 47.81 -178.22
REMARK 500 2 TYR A 82 -37.23 -158.97
REMARK 500 2 PRO A 84 106.43 -53.49
REMARK 500 2 PRO A 85 -100.17 -85.09
REMARK 500 2 ILE A 86 109.26 12.33
REMARK 500 2 THR A 92 -73.08 -77.73
REMARK 500 2 SER A 93 -39.38 177.04
REMARK 500 2 ALA A 105 41.60 172.03
REMARK 500 2 TYR A 113 -69.91 65.62
REMARK 500 2 GLU A 116 -67.64 -97.78
REMARK 500 2 TRP A 117 -89.77 -74.37
REMARK 500 2 GLN A 121 -60.25 69.63
REMARK 500 2 ARG A 144 154.56 63.18
REMARK 500 2 PRO B 207 -78.15 -91.64
REMARK 500 2 THR B 208 -56.90 64.75
REMARK 500 2 ALA B 209 158.63 86.71
REMARK 500 2 GLU B 212 -137.11 -153.74
REMARK 500 3 VAL A 12 -85.81 -101.64
REMARK 500 3 SER A 13 -59.60 65.94
REMARK 500 3 LYS A 33 -2.44 78.04
REMARK 500 3 PHE A 44 -67.23 -148.99
REMARK 500 3 ASN A 45 86.01 -57.39
REMARK 500 3 TYR A 63 -161.44 -107.87
REMARK 500 3 THR A 79 -36.59 -158.33
REMARK 500 3 TYR A 82 71.64 -158.80
REMARK 500 3 ASN A 83 128.42 63.91
REMARK 500 3 ALA A 105 -22.45 172.38
REMARK 500
REMARK 500 THIS ENTRY HAS 401 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1KPP RELATED DB: PDB
REMARK 900 STRUCTURE OF THE TSG101 UEV DOMAIN
REMARK 900 RELATED ID: 1KPQ RELATED DB: PDB
REMARK 900 STRUCTURE OF THE TSG101 UEV DOMAIN
REMARK 900 RELATED ID: 1M4P RELATED DB: PDB
REMARK 900 STRUCTURE OF THE TSG101 UEV DOMAIN IN COMPLEX WITH A HIV-1 PTAP "
REMARK 900 LATE DOMAIN" PEPTIDE
DBREF 1M4Q A 1 145 UNP Q99816 TS101_HUMAN 1 145
DBREF 1M4Q B 205 213 UNP Q9IF21 Q9IF21_9HIV1 453 461
SEQRES 1 A 145 MET ALA VAL SER GLU SER GLN LEU LYS LYS MET VAL SER
SEQRES 2 A 145 LYS TYR LYS TYR ARG ASP LEU THR VAL ARG GLU THR VAL
SEQRES 3 A 145 ASN VAL ILE THR LEU TYR LYS ASP LEU LYS PRO VAL LEU
SEQRES 4 A 145 ASP SER TYR VAL PHE ASN ASP GLY SER SER ARG GLU LEU
SEQRES 5 A 145 MET ASN LEU THR GLY THR ILE PRO VAL PRO TYR ARG GLY
SEQRES 6 A 145 ASN THR TYR ASN ILE PRO ILE CYS LEU TRP LEU LEU ASP
SEQRES 7 A 145 THR TYR PRO TYR ASN PRO PRO ILE CYS PHE VAL LYS PRO
SEQRES 8 A 145 THR SER SER MET THR ILE LYS THR GLY LYS HIS VAL ASP
SEQRES 9 A 145 ALA ASN GLY LYS ILE TYR LEU PRO TYR LEU HIS GLU TRP
SEQRES 10 A 145 LYS HIS PRO GLN SER ASP LEU LEU GLY LEU ILE GLN VAL
SEQRES 11 A 145 MET ILE VAL VAL PHE GLY ASP GLU PRO PRO VAL PHE SER
SEQRES 12 A 145 ARG PRO
SEQRES 1 B 9 PRO GLU PRO THR ALA PRO PRO GLU GLU
HELIX 1 1 VAL A 3 SER A 13 1 11
HELIX 2 2 TYR A 17 LYS A 33 1 17
HELIX 3 3 ASP A 123 GLU A 138 1 16
SHEET 1 A 4 LEU A 35 VAL A 38 0
SHEET 2 A 4 ASN A 54 PRO A 62 -1 O THR A 56 N LYS A 36
SHEET 3 A 4 THR A 67 TRP A 75 -1 O ILE A 70 N ILE A 59
SHEET 4 A 4 CYS A 87 VAL A 89 -1 O PHE A 88 N CYS A 73
SHEET 1 B 2 SER A 41 VAL A 43 0
SHEET 2 B 2 SER A 49 GLU A 51 -1 O ARG A 50 N TYR A 42
CISPEP 1 TYR A 80 PRO A 81 1 0.65
CISPEP 2 HIS A 119 PRO A 120 1 0.60
CISPEP 3 TYR A 80 PRO A 81 2 -0.11
CISPEP 4 HIS A 119 PRO A 120 2 0.66
CISPEP 5 TYR A 80 PRO A 81 3 0.36
CISPEP 6 HIS A 119 PRO A 120 3 0.60
CISPEP 7 TYR A 80 PRO A 81 4 -0.55
CISPEP 8 HIS A 119 PRO A 120 4 0.60
CISPEP 9 TYR A 80 PRO A 81 5 -0.05
CISPEP 10 HIS A 119 PRO A 120 5 0.56
CISPEP 11 TYR A 80 PRO A 81 6 0.27
CISPEP 12 HIS A 119 PRO A 120 6 0.50
CISPEP 13 TYR A 80 PRO A 81 7 0.14
CISPEP 14 HIS A 119 PRO A 120 7 0.55
CISPEP 15 TYR A 80 PRO A 81 8 0.69
CISPEP 16 HIS A 119 PRO A 120 8 0.67
CISPEP 17 TYR A 80 PRO A 81 9 -0.02
CISPEP 18 HIS A 119 PRO A 120 9 0.68
CISPEP 19 TYR A 80 PRO A 81 10 0.25
CISPEP 20 HIS A 119 PRO A 120 10 0.74
CISPEP 21 TYR A 80 PRO A 81 11 0.03
CISPEP 22 HIS A 119 PRO A 120 11 0.70
CISPEP 23 TYR A 80 PRO A 81 12 -0.10
CISPEP 24 HIS A 119 PRO A 120 12 0.56
CISPEP 25 TYR A 80 PRO A 81 13 -0.15
CISPEP 26 HIS A 119 PRO A 120 13 0.53
CISPEP 27 TYR A 80 PRO A 81 14 -0.11
CISPEP 28 HIS A 119 PRO A 120 14 0.72
CISPEP 29 TYR A 80 PRO A 81 15 -0.76
CISPEP 30 HIS A 119 PRO A 120 15 0.48
CISPEP 31 TYR A 80 PRO A 81 16 0.45
CISPEP 32 HIS A 119 PRO A 120 16 0.47
CISPEP 33 TYR A 80 PRO A 81 17 0.28
CISPEP 34 HIS A 119 PRO A 120 17 0.65
CISPEP 35 TYR A 80 PRO A 81 18 0.04
CISPEP 36 HIS A 119 PRO A 120 18 0.67
CISPEP 37 TYR A 80 PRO A 81 19 -0.04
CISPEP 38 HIS A 119 PRO A 120 19 0.65
CISPEP 39 TYR A 80 PRO A 81 20 0.34
CISPEP 40 HIS A 119 PRO A 120 20 0.70
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