Header list of 1qcv.pdb file
Complete list - r 14 2 Bytes
HEADER ELECTRON TRANSPORT 10-MAY-99 1QCV
TITLE RUBREDOXIN VARIANT (PFRD-XC4) FOLDS WITHOUT IRON
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN (RUBREDOXIN VARIANT PFRD-XC4);
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS;
SOURCE 3 ORGANISM_TAXID: 2261;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS HYPERTHERMOPHILE, RUBREDOXIN, ELECTRON TRANSPORT
EXPDTA SOLUTION NMR
NUMMDL 29
AUTHOR P.STROP,S.L.MAYO
REVDAT 4 14-MAR-18 1QCV 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1QCV 1 VERSN
REVDAT 2 05-MAY-00 1QCV 1 REMARK SEQADV
REVDAT 1 18-FEB-00 1QCV 0
JRNL AUTH P.STROP,S.L.MAYO
JRNL TITL CONTRIBUTION OF SURFACE SALT BRIDGES TO PROTEIN STABILITY.
JRNL REF BIOCHEMISTRY V. 39 1251 2000
JRNL REFN ISSN 0006-2960
JRNL PMID 10684603
JRNL DOI 10.1021/BI992257J
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH P.STROP,S.L.MAYO
REMARK 1 TITL RUBREDOXIN VARIANT FOLDS WITHOUT IRON
REMARK 1 REF J.AM.CHEM.SOC. V. 121 2341 1999
REMARK 1 REFN ISSN 0002-7863
REMARK 1 DOI 10.1021/JA9834780
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1QCV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAY-99.
REMARK 100 THE DEPOSITION ID IS D_1000009085.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298.0
REMARK 210 PH : 6.3
REMARK 210 IONIC STRENGTH : 225MM
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.5MM PFRD-XC4 ACETATE-D3 PH
REMARK 210 6.3; 200MM NACL; 90/10 H2O/D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY NOESY TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITYPLUS
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : ANSIG, VARIANT VNMR VNMR
REMARK 210 METHOD USED : DISTANCE GEOMETRY
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 40
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 29
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS & LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 29
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
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 18 90.54 -176.28
REMARK 500 1 VAL A 37 117.14 -167.43
REMARK 500 1 ALA A 38 177.17 -58.71
REMARK 500 1 PRO A 39 -160.57 -69.30
REMARK 500 1 ALA A 43 -62.65 -169.17
REMARK 500 1 PHE A 48 -169.03 -109.78
REMARK 500 1 LYS A 50 179.66 -54.22
REMARK 500 2 THR A 8 -41.74 -147.94
REMARK 500 2 ASP A 18 88.81 -173.72
REMARK 500 2 ILE A 40 94.68 -62.53
REMARK 500 2 LYS A 50 -170.29 -57.99
REMARK 500 2 LEU A 51 63.61 -111.10
REMARK 500 2 GLU A 52 -176.14 -55.90
REMARK 500 3 ASP A 18 94.42 174.24
REMARK 500 3 THR A 27 101.19 55.64
REMARK 500 3 PRO A 39 -162.46 -71.88
REMARK 500 3 THR A 41 98.05 -53.48
REMARK 500 3 PRO A 44 -164.14 -69.61
REMARK 500 3 LYS A 50 173.78 -58.48
REMARK 500 4 LYS A 2 -166.76 -111.87
REMARK 500 4 ASP A 18 90.13 -178.59
REMARK 500 4 THR A 41 46.13 -154.36
REMARK 500 4 ALA A 43 -50.47 -177.00
REMARK 500 4 GLU A 47 -33.10 -132.38
REMARK 500 4 LEU A 51 48.53 -89.90
REMARK 500 5 THR A 8 36.59 -146.81
REMARK 500 5 ASP A 18 88.70 -174.48
REMARK 500 5 ILE A 40 -40.92 -169.19
REMARK 500 5 THR A 41 -44.04 -161.73
REMARK 500 5 PRO A 44 -163.48 -71.34
REMARK 500 5 LEU A 51 35.35 -99.18
REMARK 500 5 GLU A 52 -163.91 -61.04
REMARK 500 6 ASP A 18 94.14 176.17
REMARK 500 6 LEU A 32 171.40 -52.99
REMARK 500 6 ASP A 35 -0.12 69.90
REMARK 500 6 THR A 41 70.31 44.28
REMARK 500 6 ALA A 43 57.14 -163.25
REMARK 500 6 PRO A 44 -164.50 -71.18
REMARK 500 6 GLU A 47 -33.69 -160.17
REMARK 500 7 ILE A 7 -74.11 -56.15
REMARK 500 7 ASP A 18 88.72 -175.61
REMARK 500 7 PRO A 39 -163.03 -71.81
REMARK 500 7 THR A 41 95.45 -50.97
REMARK 500 7 ALA A 43 56.60 -151.62
REMARK 500 7 PRO A 44 -164.82 -69.21
REMARK 500 7 LEU A 51 47.47 -97.71
REMARK 500 8 THR A 8 -54.14 -149.72
REMARK 500 8 ASP A 18 95.12 172.25
REMARK 500 8 THR A 27 99.13 55.11
REMARK 500 8 TRP A 36 -81.45 -61.79
REMARK 500
REMARK 500 THIS ENTRY HAS 218 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1QCV A 1 53 UNP P24297 RUBR_PYRFU 1 53
SEQADV 1QCV LEU A 5 UNP P24297 CYS 5 ENGINEERED MUTATION
SEQADV 1QCV THR A 8 UNP P24297 CYS 8 ENGINEERED MUTATION
SEQADV 1QCV ALA A 38 UNP P24297 CYS 38 ENGINEERED MUTATION
SEQADV 1QCV THR A 41 UNP P24297 CYS 41 ENGINEERED MUTATION
SEQRES 1 A 53 ALA LYS TRP VAL LEU LYS ILE THR GLY TYR ILE TYR ASP
SEQRES 2 A 53 GLU ASP ALA GLY ASP PRO ASP ASN GLY ILE SER PRO GLY
SEQRES 3 A 53 THR LYS PHE GLU GLU LEU PRO ASP ASP TRP VAL ALA PRO
SEQRES 4 A 53 ILE THR GLY ALA PRO LYS SER GLU PHE GLU LYS LEU GLU
SEQRES 5 A 53 ASP
SHEET 1 A 3 ILE A 11 ASP A 13 0
SHEET 2 A 3 LYS A 2 VAL A 4 -1 O TRP A 3 N TYR A 12
SHEET 3 A 3 GLU A 49 LYS A 50 -1 O GLU A 49 N VAL A 4
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 14 2 Bytes