Header list of 1d1n.pdb file
Complete list - b 16 2 Bytes
HEADER GENE REGULATION 20-SEP-99 1D1N
TITLE SOLUTION STRUCTURE OF THE FMET-TRNAFMET BINDING DOMAIN OF BECILLUS
TITLE 2 STEAROTHERMOPHILLUS TRANSLATION INITIATION FACTOR IF2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: INITIATION FACTOR 2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: C2 TERMINAL DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS;
SOURCE 3 ORGANISM_TAXID: 1422;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PXP401C-2
KEYWDS BETA-BARREL, GENE REGULATION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR S.MEUNIER,S.SPURIO,M.CZISCH,R.WECHSELBERGER,M.GUEUNNEUGUES
REVDAT 4 16-FEB-22 1D1N 1 REMARK
REVDAT 3 24-FEB-09 1D1N 1 VERSN
REVDAT 2 01-APR-03 1D1N 1 JRNL
REVDAT 1 20-SEP-00 1D1N 0
JRNL AUTH S.MEUNIER,R.SPURIO,M.CZISCH,R.WECHSELBERGER,M.GUENNEUGUES,
JRNL AUTH 2 C.O.GUALERZI,R.BOELENS
JRNL TITL STRUCTURE OF THE FMET-TRNA(FMET)-BINDING DOMAIN OF B.
JRNL TITL 2 STEAROTHERMOPHILUS INITIATION FACTOR IF2.
JRNL REF EMBO J. V. 19 1918 2000
JRNL REFN ISSN 0261-4189
JRNL PMID 10775275
JRNL DOI 10.1093/EMBOJ/19.8.1918
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NULL
REMARK 3 AUTHORS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1D1N COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-SEP-99.
REMARK 100 THE DEPOSITION ID IS D_1000009712.
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 : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY,STRUCTURES
REMARK 210 WITH FAVORABLE NON- BOND ENERGY,
REMARK 210 STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES
REMARK 210 WITH THE LOWEST 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 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 ALA A 241 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 H ARG A 154 O GLY A 167 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 LYS A 146 -169.13 -59.17
REMARK 500 1 GLN A 155 -163.83 -162.38
REMARK 500 1 SER A 160 34.71 -91.36
REMARK 500 1 LYS A 161 -32.15 -150.84
REMARK 500 1 VAL A 162 -103.31 -102.11
REMARK 500 1 THR A 164 35.11 -153.87
REMARK 500 1 ILE A 165 95.57 -42.13
REMARK 500 1 ASP A 172 -144.66 -150.85
REMARK 500 1 ARG A 185 -156.22 -86.37
REMARK 500 1 ILE A 188 -159.74 -150.40
REMARK 500 1 VAL A 208 75.83 -151.18
REMARK 500 1 GLN A 210 -73.49 83.94
REMARK 500 1 LYS A 219 -144.72 45.51
REMARK 500 1 LYS A 225 115.87 58.01
REMARK 500 1 GLU A 226 66.62 3.64
REMARK 500 1 ASP A 228 -148.38 -164.95
REMARK 500 1 VAL A 234 -162.33 -176.64
REMARK 500 1 GLN A 236 36.82 -96.48
REMARK 500 1 ALA A 239 -62.73 70.53
REMARK 500 2 GLU A 145 -72.57 -89.74
REMARK 500 2 LYS A 146 168.14 64.57
REMARK 500 2 GLN A 155 -159.05 -164.29
REMARK 500 2 SER A 160 35.91 -91.95
REMARK 500 2 LYS A 161 -34.04 -150.85
REMARK 500 2 VAL A 162 -102.04 -102.18
REMARK 500 2 THR A 164 34.46 -153.37
REMARK 500 2 ILE A 165 95.20 -42.15
REMARK 500 2 ASP A 172 -144.28 -150.36
REMARK 500 2 ARG A 185 -150.85 -85.74
REMARK 500 2 ILE A 188 -156.68 -120.61
REMARK 500 2 ARG A 200 -157.99 -87.96
REMARK 500 2 LYS A 202 -60.77 -94.51
REMARK 500 2 VAL A 208 77.00 -150.93
REMARK 500 2 GLN A 210 -75.50 85.77
REMARK 500 2 LYS A 219 -144.33 42.50
REMARK 500 2 LYS A 225 147.74 63.53
REMARK 500 2 GLU A 226 87.98 -36.58
REMARK 500 2 ASP A 228 -146.91 -163.71
REMARK 500 2 VAL A 234 -169.83 178.46
REMARK 500 2 GLU A 237 40.16 -150.61
REMARK 500 2 ALA A 239 -62.38 71.25
REMARK 500 3 GLU A 144 -168.50 -75.18
REMARK 500 3 LYS A 146 -168.05 -71.35
REMARK 500 3 GLN A 155 -162.29 -162.40
REMARK 500 3 SER A 160 35.68 -90.15
REMARK 500 3 LYS A 161 -32.40 -150.41
REMARK 500 3 VAL A 162 -103.23 -102.85
REMARK 500 3 THR A 164 34.65 -153.49
REMARK 500 3 ILE A 165 98.11 -40.86
REMARK 500 3 ASP A 172 -146.42 -150.07
REMARK 500
REMARK 500 THIS ENTRY HAS 438 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1D1N A 143 241 UNP P04766 IF2_BACST 643 741
SEQRES 1 A 99 TYR GLU GLU LYS VAL ILE GLY GLN ALA GLU VAL ARG GLN
SEQRES 2 A 99 THR PHE LYS VAL SER LYS VAL GLY THR ILE ALA GLY CYS
SEQRES 3 A 99 TYR VAL THR ASP GLY LYS ILE THR ARG ASP SER LYS VAL
SEQRES 4 A 99 ARG LEU ILE ARG GLN GLY ILE VAL VAL TYR GLU GLY GLU
SEQRES 5 A 99 ILE ASP SER LEU LYS ARG TYR LYS ASP ASP VAL ARG GLU
SEQRES 6 A 99 VAL ALA GLN GLY TYR GLU CYS GLY LEU THR ILE LYS ASN
SEQRES 7 A 99 PHE ASN ASP ILE LYS GLU GLY ASP VAL ILE GLU ALA TYR
SEQRES 8 A 99 VAL MET GLN GLU VAL ALA ARG ALA
SHEET 1 A 5 SER A 197 LYS A 199 0
SHEET 2 A 5 GLU A 213 THR A 217 -1 O GLY A 215 N LYS A 199
SHEET 3 A 5 ALA A 166 VAL A 170 -1 O ALA A 166 N LEU A 216
SHEET 4 A 5 VAL A 147 VAL A 153 -1 O GLU A 152 N TYR A 169
SHEET 5 A 5 VAL A 229 TYR A 233 -1 O ILE A 230 N ALA A 151
SHEET 1 B 2 LYS A 180 ILE A 184 0
SHEET 2 B 2 VAL A 189 GLU A 194 -1 N VAL A 190 O LEU A 183
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 16 2 Bytes