Header list of 2hc5.pdb file
Complete list - g 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-JUN-06 2HC5
TITLE SOLUTION NMR STRUCTURE OF PROTEIN YVYC FROM BACILLUS SUBTILIS.
TITLE 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR482.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YVYC;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: ORF 99;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;
SOURCE 3 ORGANISM_TAXID: 1423;
SOURCE 4 GENE: YVYC;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21
KEYWDS NESG, GFT-NMR, PSI, PROTEIN STRUCTURE INITIATIVE, NORTHEAST
KEYWDS 2 STRUCTURAL GENOMICS CONSORTIUM, ALPHA-BETA, FLAG, STRUCTURAL
KEYWDS 3 GENOMICS, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR A.ELETSKY,G.LIU,H.S.ATREYA,D.K.SUKUMARAN,D.WANG,K.CUNNINGHAM,
AUTHOR 2 H.JANJUA,L.-C.MA,R.XIAO,J.LIU,M.BARAN,T.B.ACTON,B.ROST,
AUTHOR 3 G.T.MONTELIONE,T.SZYPERSKI,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM
AUTHOR 4 (NESG)
REVDAT 5 14-JUN-23 2HC5 1 REMARK
REVDAT 4 26-FEB-20 2HC5 1 REMARK SEQADV
REVDAT 3 27-OCT-09 2HC5 1 JRNL
REVDAT 2 24-FEB-09 2HC5 1 VERSN
REVDAT 1 15-AUG-06 2HC5 0
JRNL AUTH A.ELETSKY,D.K.SUKUMARAN,R.XIAO,T.B.ACTON,B.ROST,
JRNL AUTH 2 G.T.MONTELIONE,T.SZYPERSKI
JRNL TITL NMR STRUCTURE OF PROTEIN YVYC FROM BACILLUS SUBTILIS REVEALS
JRNL TITL 2 UNEXPECTED STRUCTURAL SIMILARITY BETWEEN TWO PFAM FAMILIES.
JRNL REF PROTEINS V. 76 1037 2009
JRNL REFN ISSN 0887-3585
JRNL PMID 19455708
JRNL DOI 10.1002/PROT.22459
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1C, CYANA 2.1
REMARK 3 AUTHORS : VARIAN, INC. (VNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: EXPLICIT WATER BATH REFINEMENT
REMARK 4
REMARK 4 2HC5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-JUN-06.
REMARK 100 THE DEPOSITION ID IS D_1000038183.
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 : 100 MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.1 MM SR482 PROTEIN 10MM TRIS
REMARK 210 BUFFER, 100MM NACL, 0.02% NAN3,
REMARK 210 95% H2O / 5% D20
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D 15N-, 13CALI-, 13CARO
REMARK 210 -RESOLVED NOESY; (4,3)D GFT
REMARK 210 CABCA(CO)NHN; (4,3)D GFT
REMARK 210 HNNCABCA; (4,3)D GFT HABCAB(CO)
REMARK 210 NHN; (4,3)D GFT HCCH-COSY (ALI);
REMARK 210 (4,3)D GFT HCCH-COSY (ARO)
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 : XEASY 1.3.13, CARA 1.5.3, PROSA
REMARK 210 6.0, CYANA 2.1
REMARK 210 METHOD USED : TORSION ANGLE 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
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 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME;
REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 470 MODELS 1-20
REMARK 470 RES CSSEQI ATOMS
REMARK 470 HIS A 117 O
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 ASP A 106 H LYS A 108 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 ASN A 22 70.13 -115.68
REMARK 500 1 PRO A 31 101.99 -55.90
REMARK 500 1 LEU A 66 -83.86 61.00
REMARK 500 1 GLU A 107 50.42 -60.44
REMARK 500 1 LYS A 108 -43.74 -150.10
REMARK 500 1 GLU A 111 44.50 27.79
REMARK 500 1 HIS A 116 81.19 -152.66
REMARK 500 2 ASN A 2 95.72 65.95
REMARK 500 2 HIS A 33 -168.03 173.68
REMARK 500 2 HIS A 57 70.02 59.94
REMARK 500 2 LEU A 66 -74.59 66.51
REMARK 500 2 GLU A 107 -75.04 63.56
REMARK 500 2 GLU A 111 -50.32 68.11
REMARK 500 3 ASN A 2 89.83 51.37
REMARK 500 3 THR A 8 139.49 -171.24
REMARK 500 3 ASN A 22 -67.97 -103.49
REMARK 500 3 LYS A 24 34.28 -86.65
REMARK 500 3 ASP A 25 -82.85 69.95
REMARK 500 3 ASP A 27 -87.77 -120.95
REMARK 500 3 ASN A 28 -75.62 -148.20
REMARK 500 3 PRO A 53 33.66 -82.84
REMARK 500 3 LYS A 65 -150.91 -140.52
REMARK 500 3 GLU A 107 -55.79 -20.76
REMARK 500 3 HIS A 114 -91.79 66.68
REMARK 500 3 HIS A 115 90.67 177.90
REMARK 500 4 ASN A 2 115.81 62.25
REMARK 500 4 PRO A 31 22.19 -74.47
REMARK 500 4 VAL A 32 -92.13 45.21
REMARK 500 4 HIS A 33 89.12 65.12
REMARK 500 4 GLN A 34 107.35 -58.93
REMARK 500 4 LEU A 66 -67.00 -177.21
REMARK 500 4 ASN A 79 33.17 70.09
REMARK 500 4 GLU A 107 -79.96 53.67
REMARK 500 4 GLU A 111 -6.53 62.07
REMARK 500 4 HIS A 112 49.61 -84.02
REMARK 500 4 HIS A 113 -102.00 61.00
REMARK 500 4 HIS A 114 -43.36 -137.81
REMARK 500 5 THR A 7 23.25 49.76
REMARK 500 5 ASN A 22 -76.39 -125.80
REMARK 500 5 ASN A 26 74.99 64.58
REMARK 500 5 ASP A 27 -24.28 71.82
REMARK 500 5 GLU A 29 70.73 57.17
REMARK 500 5 PRO A 31 100.91 -58.75
REMARK 500 5 HIS A 33 -68.95 76.55
REMARK 500 5 SER A 54 -168.54 -104.23
REMARK 500 5 HIS A 57 78.89 -105.44
REMARK 500 5 LYS A 65 -85.35 -118.71
REMARK 500 5 ARG A 83 135.39 -170.41
REMARK 500 5 GLU A 107 -85.49 50.46
REMARK 500 5 GLU A 111 -3.70 71.47
REMARK 500
REMARK 500 THIS ENTRY HAS 210 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 7170 RELATED DB: BMRB
REMARK 900 RELATED ID: SR482 RELATED DB: TARGETDB
DBREF 2HC5 A 2 109 UNP P39737 YVYC_BACSU 2 109
SEQADV 2HC5 LEU A 1 UNP P39737 CLONING ARTIFACT
SEQADV 2HC5 LEU A 110 UNP P39737 EXPRESSION TAG
SEQADV 2HC5 GLU A 111 UNP P39737 EXPRESSION TAG
SEQADV 2HC5 HIS A 112 UNP P39737 EXPRESSION TAG
SEQADV 2HC5 HIS A 113 UNP P39737 EXPRESSION TAG
SEQADV 2HC5 HIS A 114 UNP P39737 EXPRESSION TAG
SEQADV 2HC5 HIS A 115 UNP P39737 EXPRESSION TAG
SEQADV 2HC5 HIS A 116 UNP P39737 EXPRESSION TAG
SEQADV 2HC5 HIS A 117 UNP P39737 EXPRESSION TAG
SEQRES 1 A 117 LEU ASN ILE GLU ARG LEU THR THR LEU GLN PRO VAL TRP
SEQRES 2 A 117 ASP ARG TYR ASP THR GLN ILE HIS ASN GLN LYS ASP ASN
SEQRES 3 A 117 ASP ASN GLU VAL PRO VAL HIS GLN VAL SER TYR THR ASN
SEQRES 4 A 117 LEU ALA GLU MET VAL GLY GLU MET ASN LYS LEU LEU GLU
SEQRES 5 A 117 PRO SER GLN VAL HIS LEU LYS PHE GLU LEU HIS ASP LYS
SEQRES 6 A 117 LEU ASN GLU TYR TYR VAL LYS VAL ILE GLU ASP SER THR
SEQRES 7 A 117 ASN GLU VAL ILE ARG GLU ILE PRO PRO LYS ARG TRP LEU
SEQRES 8 A 117 ASP PHE TYR ALA ALA MET THR GLU PHE LEU GLY LEU PHE
SEQRES 9 A 117 VAL ASP GLU LYS LYS LEU GLU HIS HIS HIS HIS HIS HIS
HELIX 1 1 LEU A 9 ASN A 22 1 14
HELIX 2 2 SER A 36 GLU A 52 1 17
HELIX 3 3 PRO A 86 VAL A 105 1 20
SHEET 1 A 3 LEU A 58 LYS A 65 0
SHEET 2 A 3 GLU A 68 GLU A 75 -1 O ILE A 74 N LYS A 59
SHEET 3 A 3 VAL A 81 ILE A 85 -1 O ARG A 83 N VAL A 73
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 - g 9 2 Bytes