Header list of 1xn7.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-OCT-04 1XN7
TITLE SOLUTION STRUCTURE OF E.COLI PROTEIN YHGG: THE NORTHEAST STRUCTURAL
TITLE 2 GENOMICS CONSORTIUM TARGET ET95
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YHGG;
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: YHGG;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS ALPHA+BETA, GFT NMR, STRUCTURAL GENOMICS, PROTEIN STRUCTURE
KEYWDS 2 INITIATIVE, PSI, NESG, ET95, NORTHEAST STRUCTURAL GENOMICS
KEYWDS 3 CONSORTIUM, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR Y.SHEN,T.ACTON,H.S.ATREYA,L.MA,G.LIU,R.XIAO,G.T.MONTELIONE,
AUTHOR 2 T.SZYPERSKI,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 4 02-MAR-22 1XN7 1 REMARK
REVDAT 3 24-FEB-09 1XN7 1 VERSN
REVDAT 2 25-JAN-05 1XN7 1 AUTHOR KEYWDS
REVDAT 1 14-DEC-04 1XN7 0
JRNL AUTH Y.SHEN,T.ACTON,H.S.ATREYA,L.MA,G.LIU,R.XIAO,G.T.MONTELIONE,
JRNL AUTH 2 T.SZYPERSKI
JRNL TITL SOLUTION STRUCTURE OF E.COLI PROTEIN YHGG: THE NORTHEAST
JRNL TITL 2 STRUCTURAL GENOMICS CONSORTIUM TARGET ET95
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PROSA 6.0, DYANA 1.5
REMARK 3 AUTHORS : GUENTERT, P. (PROSA), GUENTERT, P. (DYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1XN7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-OCT-04.
REMARK 100 THE DEPOSITION ID IS D_1000030541.
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 : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.13 MM, NMR BUFFER 6.5, 5% D2O,
REMARK 210 0.02% NAN3, 10MM DTT, 5MM CACL2,
REMARK 210 100MM NACL, 20MM MES, PH 6.5
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : GFT (4,3)D HNNCABCA; GFT (4,3)D
REMARK 210 CABCA(CO)NHN; GFT (5,2)D
REMARK 210 HACACONHN; SIMULTANEOUS
REMARK 210 HETERONUCLEAR RESOLVED [1H,1H]-
REMARK 210 NOESY; GFT (4,3)D HCCH
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY 1.3.1.3, DYANA 1.5,
REMARK 210 AUTOASSIGN 1.13.2, AUTOSTRUCTURE
REMARK 210 2.0.0, CYANA 1.0.5
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 : TARGET FUNCTION,STRUCTURES WITH
REMARK 210 THE LEAST RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING GFT TECHNIQUES.
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 ASP A 9 H LEU A 13 1.49
REMARK 500 O ALA A 19 H SER A 23 1.51
REMARK 500 O ILE A 5 H ASP A 9 1.54
REMARK 500 H ILE A 49 O TRP A 74 1.55
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 27 30.60 39.12
REMARK 500 1 MET A 32 -48.14 -143.59
REMARK 500 1 PRO A 53 -162.39 -75.01
REMARK 500 1 SER A 58 128.71 -177.98
REMARK 500 1 SER A 63 120.23 -173.16
REMARK 500 1 PRO A 65 -162.18 -75.01
REMARK 500 1 LYS A 68 166.46 60.67
REMARK 500 1 ARG A 72 87.73 -64.72
REMARK 500 2 ALA A 2 -169.33 -111.31
REMARK 500 2 ASN A 27 32.22 37.85
REMARK 500 2 MET A 32 -45.20 -142.65
REMARK 500 2 PRO A 53 -162.36 -74.91
REMARK 500 2 CYS A 56 -58.22 -147.80
REMARK 500 2 LEU A 57 122.60 62.16
REMARK 500 2 LYS A 62 117.55 64.64
REMARK 500 2 CYS A 64 72.67 -163.74
REMARK 500 2 PRO A 65 -162.41 -75.02
REMARK 500 2 GLU A 66 -150.83 -124.82
REMARK 500 2 ALA A 69 158.42 -42.62
REMARK 500 2 LEU A 71 160.54 -49.48
REMARK 500 2 ARG A 72 90.92 -65.18
REMARK 500 3 SER A 3 161.14 175.98
REMARK 500 3 ASN A 27 31.12 38.84
REMARK 500 3 MET A 32 -46.72 -142.55
REMARK 500 3 GLU A 52 107.08 -46.62
REMARK 500 3 PRO A 53 -162.36 -74.99
REMARK 500 3 CYS A 61 -62.92 76.25
REMARK 500 3 PRO A 65 -162.34 -74.97
REMARK 500 3 ARG A 72 88.79 -63.63
REMARK 500 4 ASN A 27 32.34 37.75
REMARK 500 4 MET A 32 -46.18 -143.87
REMARK 500 4 PRO A 53 -162.32 -74.98
REMARK 500 4 ASP A 54 166.15 179.99
REMARK 500 4 SER A 63 121.33 69.89
REMARK 500 4 PRO A 65 -162.14 -74.93
REMARK 500 4 GLU A 66 -149.59 -124.20
REMARK 500 4 ARG A 72 90.48 -64.45
REMARK 500 5 ALA A 2 139.73 -172.03
REMARK 500 5 ASN A 27 30.73 39.10
REMARK 500 5 MET A 32 -45.07 -143.77
REMARK 500 5 LYS A 45 -64.34 -101.57
REMARK 500 5 GLU A 52 101.95 -41.77
REMARK 500 5 PRO A 53 -162.39 -75.03
REMARK 500 5 CYS A 61 103.37 67.48
REMARK 500 5 LYS A 62 178.20 56.49
REMARK 500 5 PRO A 65 -162.33 -74.96
REMARK 500 5 GLU A 66 -150.65 -129.14
REMARK 500 5 ARG A 72 90.04 -63.75
REMARK 500 6 ALA A 2 173.29 -49.44
REMARK 500 6 MET A 17 148.70 -177.33
REMARK 500
REMARK 500 THIS ENTRY HAS 214 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: ET95 RELATED DB: TARGETDB
DBREF 1XN7 A 1 78 UNP P64638 YHGG_ECOLI 1 78
SEQRES 1 A 78 MET ALA SER LEU ILE GLN VAL ARG ASP LEU LEU ALA LEU
SEQRES 2 A 78 ARG GLY ARG MET GLU ALA ALA GLN ILE SER GLN THR LEU
SEQRES 3 A 78 ASN THR PRO GLN PRO MET ILE ASN ALA MET LEU GLN GLN
SEQRES 4 A 78 LEU GLU SER MET GLY LYS ALA VAL ARG ILE GLN GLU GLU
SEQRES 5 A 78 PRO ASP GLY CYS LEU SER GLY SER CYS LYS SER CYS PRO
SEQRES 6 A 78 GLU GLY LYS ALA CYS LEU ARG GLU TRP TRP ALA LEU ARG
HELIX 1 1 SER A 3 ARG A 14 1 12
HELIX 2 2 GLU A 18 LEU A 26 1 9
HELIX 3 3 PRO A 29 GLY A 44 1 16
SHEET 1 A 2 ALA A 46 ILE A 49 0
SHEET 2 A 2 TRP A 74 LEU A 77 -1 O TRP A 74 N ILE A 49
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