Header list of 1t17.pdb file
Complete list - r 25 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-APR-04 1T17
TITLE SOLUTION STRUCTURE OF THE 18 KDA PROTEIN CC1736 FROM CAULOBACTER
TITLE 2 CRESCENTUS: THE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET CCR19
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS;
SOURCE 3 ORGANISM_TAXID: 190650;
SOURCE 4 STRAIN: CB15;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS BETA-ALPHA-BETA-BETA-BETA-BETA-BETA-BETA-HELIX, STRUCTURAL GENOMICS,
KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, PSI, NESG, NORTHEAST STRUCTURAL
KEYWDS 3 GENOMICS CONSORTIUM, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR Y.SHEN,H.S.ATREYA,T.ACTON,R.XIAO,G.T.MONTELIONE,T.SZYPERSKI,NORTHEAST
AUTHOR 2 STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 5 13-JUL-11 1T17 1 VERSN
REVDAT 4 24-FEB-09 1T17 1 VERSN
REVDAT 3 01-FEB-05 1T17 1 JRNL
REVDAT 2 25-JAN-05 1T17 1 AUTHOR KEYWDS REMARK
REVDAT 1 04-JAN-05 1T17 0
JRNL AUTH Y.SHEN,S.GOLDSMITH-FISCHMAN,H.S.ATREYA,T.ACTON,L.MA,R.XIAO,
JRNL AUTH 2 B.HONIG,G.T.MONTELIONE,T.SZYPERSKI
JRNL TITL NMR STRUCTURE OF THE 18 KDA PROTEIN CC1736 FROM CAULOBACTER
JRNL TITL 2 CRESCENTUS IDENTIFIES A MEMBER OF THE START DOMAIN
JRNL TITL 3 SUPERFAMILY AND SUGGESTS RESIDUES MEDIATING SUBSTRATE
JRNL TITL 4 SPECIFICITY.
JRNL REF PROTEINS V. 58 747 2005
JRNL REFN ISSN 0887-3585
JRNL PMID 15616961
JRNL DOI 10.1002/PROT.20365
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DYANA 1.5
REMARK 3 AUTHORS : PETER GUNTERT
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1T17 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-APR-04.
REMARK 100 THE RCSB ID CODE IS RCSB022184.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : N/A
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : U-15N,13C LABELED CC1736: 5%
REMARK 210 D2O, 0.02% NAN3, 10MM DTT, 5MM
REMARK 210 CACL2, 100MM NACL, 20MM MES, PH
REMARK 210 6.5
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N-
REMARK 210 SEPARATED_NOESY; HNHA; RD HCCH-
REMARK 210 COSY; RD HABCABCONHN; HNCACB
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DYANA 1.5, PROSA 6.0
REMARK 210 METHOD USED : NULL
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,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 O GLY A 22 H ASP A 25 1.46
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 ASP A 25 25.80 -157.22
REMARK 500 1 ALA A 26 -94.38 -108.12
REMARK 500 1 TYR A 27 90.53 54.34
REMARK 500 1 LYS A 29 -75.41 -145.26
REMARK 500 1 PHE A 30 -173.58 -179.51
REMARK 500 1 VAL A 31 109.04 -160.36
REMARK 500 1 THR A 35 -91.33 -135.17
REMARK 500 1 TRP A 40 -179.09 -178.57
REMARK 500 1 ASN A 41 97.87 63.51
REMARK 500 1 ALA A 47 35.55 -93.76
REMARK 500 1 PHE A 61 -6.43 77.50
REMARK 500 1 LEU A 84 -56.93 -120.54
REMARK 500 1 TYR A 85 -39.06 -134.87
REMARK 500 1 PHE A 88 45.46 73.86
REMARK 500 1 LYS A 89 -56.20 -150.48
REMARK 500 1 ARG A 90 147.64 172.98
REMARK 500 1 LEU A 91 106.24 -174.81
REMARK 500 1 GLU A 100 87.76 -157.64
REMARK 500 2 ALA A 26 -91.73 -118.35
REMARK 500 2 TYR A 27 88.89 37.71
REMARK 500 2 PRO A 28 -83.88 -75.01
REMARK 500 2 LYS A 29 -83.18 -40.57
REMARK 500 2 THR A 35 -91.02 -130.21
REMARK 500 2 TRP A 40 179.08 177.34
REMARK 500 2 ASN A 41 98.47 62.85
REMARK 500 2 ALA A 47 33.80 -95.68
REMARK 500 2 PHE A 59 -23.84 161.64
REMARK 500 2 LEU A 84 -56.82 -123.26
REMARK 500 2 LYS A 89 -47.19 -141.70
REMARK 500 2 ARG A 90 122.61 169.10
REMARK 500 2 LEU A 91 109.12 -172.53
REMARK 500 2 GLU A 100 57.79 -150.05
REMARK 500 3 ALA A 26 -98.45 -72.00
REMARK 500 3 TYR A 27 164.37 47.87
REMARK 500 3 PRO A 28 -91.43 -75.01
REMARK 500 3 LYS A 29 40.84 179.25
REMARK 500 3 PHE A 30 -72.93 -134.78
REMARK 500 3 VAL A 31 83.56 33.96
REMARK 500 3 THR A 35 -90.72 -136.45
REMARK 500 3 TRP A 40 179.33 177.08
REMARK 500 3 ASN A 41 98.82 63.67
REMARK 500 3 ALA A 47 36.96 -96.46
REMARK 500 3 PHE A 59 16.28 56.35
REMARK 500 3 LEU A 84 -57.00 -122.89
REMARK 500 3 PHE A 88 91.32 -68.45
REMARK 500 3 LYS A 89 -50.30 -169.08
REMARK 500 3 ARG A 90 120.03 168.60
REMARK 500 3 LEU A 91 114.42 -165.53
REMARK 500 3 GLU A 100 95.47 -162.99
REMARK 500 4 ALA A 26 -90.95 -119.10
REMARK 500
REMARK 500 THIS ENTRY HAS 292 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: CCR19 RELATED DB: TARGETDB
DBREF 1T17 A 1 148 UNP Q9A7I7 Q9A7I7_CAUCR 1 148
SEQRES 1 A 148 MET HIS ARG HIS VAL VAL THR LYS VAL LEU PRO TYR THR
SEQRES 2 A 148 PRO ASP GLN LEU PHE GLU LEU VAL GLY ASP VAL ASP ALA
SEQRES 3 A 148 TYR PRO LYS PHE VAL PRO TRP ILE THR GLY MET ARG THR
SEQRES 4 A 148 TRP ASN GLY ARG VAL ASP GLY ALA VAL SER THR VAL ASP
SEQRES 5 A 148 ALA GLU ALA GLN VAL GLY PHE SER PHE LEU ARG GLU LYS
SEQRES 6 A 148 PHE ALA THR ARG VAL ARG ARG ASP LYS ASP ALA ARG SER
SEQRES 7 A 148 ILE ASP VAL SER LEU LEU TYR GLY PRO PHE LYS ARG LEU
SEQRES 8 A 148 ASN ASN GLY TRP ARG PHE MET PRO GLU GLY ASP ALA THR
SEQRES 9 A 148 ARG VAL GLU PHE VAL ILE GLU PHE ALA PHE LYS SER ALA
SEQRES 10 A 148 LEU LEU ASP ALA MET LEU ALA ALA ASN VAL ASP ARG ALA
SEQRES 11 A 148 ALA GLY LYS LEU ILE ALA CYS PHE GLU ALA ARG ALA GLN
SEQRES 12 A 148 GLN LEU HIS GLY ALA
HELIX 1 1 PRO A 14 GLY A 22 1 9
HELIX 2 2 SER A 116 GLY A 147 1 32
SHEET 1 A 7 ARG A 3 LEU A 10 0
SHEET 2 A 7 ALA A 103 PHE A 112 -1 O VAL A 106 N LYS A 8
SHEET 3 A 7 LEU A 91 GLU A 100 -1 N MET A 98 O ARG A 105
SHEET 4 A 7 SER A 78 SER A 82 -1 N VAL A 81 O ASN A 93
SHEET 5 A 7 LYS A 65 ASP A 73 -1 N ARG A 71 O ASP A 80
SHEET 6 A 7 VAL A 48 GLN A 56 -1 N SER A 49 O ARG A 72
SHEET 7 A 7 THR A 39 ASP A 45 -1 N ARG A 43 O THR A 50
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 25 2 Bytes