Header list of 1z7p.pdb file
Complete list - r 2 2 Bytes
HEADER ELECTRON TRANSPORT 26-MAR-05 1Z7P
TITLE SOLUTION STRUCTURE OF REDUCED GLUTAREDOXIN C1 FROM POPULUS TREMULA X
TITLE 2 TREMULOIDES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GLUTAREDOXIN;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: GLUTAREDOXIN C1;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS TREMULA X POPULUS TREMULOIDES;
SOURCE 3 ORGANISM_TAXID: 47664;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET3D
KEYWDS ELECTRON TRANSPORT
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR Y.FENG,N.ZHONG,N.ROUHIER,J.P.JACQUOT,B.XIA
REVDAT 4 02-MAR-22 1Z7P 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1Z7P 1 VERSN
REVDAT 2 25-JUL-06 1Z7P 1 JRNL AUTHOR
REVDAT 1 28-MAR-06 1Z7P 0
JRNL AUTH Y.FENG,N.ZHONG,N.ROUHIER,T.HASE,M.KUSUNOKI,J.P.JACQUOT,
JRNL AUTH 2 C.JIN,B.XIA
JRNL TITL STRUCTURAL INSIGHT INTO POPLAR GLUTAREDOXIN C1 WITH A
JRNL TITL 2 BRIDGING IRON-SULFUR CLUSTER AT THE ACTIVE SITE
JRNL REF BIOCHEMISTRY V. 45 7998 2006
JRNL REFN ISSN 0006-2960
JRNL PMID 16800625
JRNL DOI 10.1021/BI060444T
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 1.0.6, AMBER 7
REMARK 3 AUTHORS : GUNTERT, P. (CYANA), CASE, D. A. (AMBER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: CYS 31 IS PRESENT AS THE THIOLATE WITH
REMARK 3 A NEGATIVE CHARGE ON THE SULFUR.
REMARK 4
REMARK 4 1Z7P COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 29-MAR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032402.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 6.4
REMARK 210 IONIC STRENGTH : 40MM POTASSIUM PHOSPHATE
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.1MM UNIFORMLY 13C/15N-LABELED
REMARK 210 PROTEIN, 40MM POTASSIUM
REMARK 210 PHOSPHATE BUFFER, 90% H2O/10%
REMARK 210 D2O, 40MM DTT, 0.01% NAN3 AND
REMARK 210 0.01% DSS, PROTEASE INHIBITOR
REMARK 210 COCKTAIL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 3D_13C-
REMARK 210 SEPARATED_NOESY IN AROMATIC
REMARK 210 REGION
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW 5.2.2, NMRPIPE 2.3
REMARK 210 METHOD USED : MOLECULAR DYNAMICS SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 3 ARG A 97 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES
REMARK 500 10 ARG A 97 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
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 SER A 3 32.31 -72.72
REMARK 500 1 ARG A 72 -63.24 -140.73
REMARK 500 1 ALA A 108 28.48 48.44
REMARK 500 1 GLN A 116 163.05 67.75
REMARK 500 2 ASN A 113 73.45 -157.02
REMARK 500 2 ALA A 115 -87.04 -143.40
REMARK 500 3 ALA A 2 45.72 -78.47
REMARK 500 3 GLN A 116 -178.26 64.04
REMARK 500 4 ARG A 72 51.68 -146.39
REMARK 500 4 ASN A 113 88.87 -153.03
REMARK 500 4 GLN A 116 -179.05 63.97
REMARK 500 5 ARG A 72 -62.87 -90.58
REMARK 500 5 ALA A 108 24.36 49.51
REMARK 500 5 ALA A 111 16.33 53.26
REMARK 500 6 ALA A 2 19.76 57.19
REMARK 500 6 ARG A 72 62.77 -152.14
REMARK 500 6 GLN A 116 -164.21 46.31
REMARK 500 7 ARG A 72 -59.67 -137.59
REMARK 500 7 ALA A 111 26.43 49.97
REMARK 500 8 ALA A 111 28.27 47.56
REMARK 500 9 ALA A 108 16.77 54.25
REMARK 500 9 ASN A 113 57.99 37.41
REMARK 500 9 ALA A 115 -80.43 -72.99
REMARK 500 10 ARG A 72 -53.94 -127.35
REMARK 500 10 ASN A 113 65.91 31.98
REMARK 500 10 GLN A 116 172.71 65.00
REMARK 500 11 ARG A 72 -43.04 -143.12
REMARK 500 12 ARG A 72 -55.73 -139.54
REMARK 500 12 ALA A 115 -29.60 -150.60
REMARK 500 13 ALA A 111 96.03 -61.44
REMARK 500 13 PRO A 114 -8.28 -48.59
REMARK 500 13 GLN A 116 -178.54 62.36
REMARK 500 14 ASN A 113 90.17 -168.13
REMARK 500 14 ALA A 115 -41.91 -153.39
REMARK 500 15 ARG A 72 -62.32 -140.76
REMARK 500 15 ALA A 115 -143.44 -87.41
REMARK 500 16 ALA A 115 -136.40 -83.60
REMARK 500 17 ASN A 113 86.41 -161.95
REMARK 500 17 GLN A 116 170.75 66.83
REMARK 500 18 ALA A 111 25.97 49.51
REMARK 500 18 GLN A 116 -178.08 56.23
REMARK 500 19 ARG A 72 54.17 -145.73
REMARK 500 19 ALA A 108 27.79 48.98
REMARK 500 20 TYR A 30 -8.13 -142.75
REMARK 500 20 ARG A 72 -62.41 -130.77
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 6410 RELATED DB: BMRB
REMARK 900 CHEMICAL SHIFT ASSIGGNMENT
REMARK 900 RELATED ID: 1Z7R RELATED DB: PDB
REMARK 900 MINIMIZED AVERAGE STRUCTURE
DBREF 1Z7P A 3 112 UNP Q5PSJ1 Q5PSJ1_9ROSI 12 121
SEQADV 1Z7P MET A 1 UNP Q5PSJ1 CLONING ARTIFACT
SEQADV 1Z7P ALA A 2 UNP Q5PSJ1 CLONING ARTIFACT
SEQADV 1Z7P ASN A 113 UNP Q5PSJ1 SEE REMARK 999
SEQADV 1Z7P PRO A 114 UNP Q5PSJ1 SEE REMARK 999
SEQADV 1Z7P ALA A 115 UNP Q5PSJ1 SEE REMARK 999
SEQADV 1Z7P GLN A 116 UNP Q5PSJ1 SEE REMARK 999
SEQADV 1Z7P LEU A 117 UNP Q5PSJ1 SEE REMARK 999
SEQRES 1 A 117 MET ALA SER LYS GLN GLU LEU ASP ALA ALA LEU LYS LYS
SEQRES 2 A 117 ALA LYS GLU LEU ALA SER SER ALA PRO VAL VAL VAL PHE
SEQRES 3 A 117 SER LYS THR TYR CYS GLY TYR CYS ASN ARG VAL LYS GLN
SEQRES 4 A 117 LEU LEU THR GLN VAL GLY ALA SER TYR LYS VAL VAL GLU
SEQRES 5 A 117 LEU ASP GLU LEU SER ASP GLY SER GLN LEU GLN SER ALA
SEQRES 6 A 117 LEU ALA HIS TRP THR GLY ARG GLY THR VAL PRO ASN VAL
SEQRES 7 A 117 PHE ILE GLY GLY LYS GLN ILE GLY GLY CYS ASP THR VAL
SEQRES 8 A 117 VAL GLU LYS HIS GLN ARG ASN GLU LEU LEU PRO LEU LEU
SEQRES 9 A 117 GLN ASP ALA ALA ALA THR ALA LYS ASN PRO ALA GLN LEU
HELIX 1 1 SER A 3 SER A 20 1 18
HELIX 2 2 CYS A 31 GLY A 45 1 15
HELIX 3 3 ASP A 58 GLY A 71 1 14
HELIX 4 4 CYS A 88 ARG A 97 1 10
HELIX 5 5 GLU A 99 ALA A 107 1 9
SHEET 1 A 4 LYS A 49 GLU A 52 0
SHEET 2 A 4 VAL A 23 SER A 27 1 N VAL A 23 O LYS A 49
SHEET 3 A 4 ASN A 77 ILE A 80 -1 O ASN A 77 N PHE A 26
SHEET 4 A 4 LYS A 83 GLY A 87 -1 O GLY A 86 N VAL A 78
CISPEP 1 VAL A 75 PRO A 76 1 -10.06
CISPEP 2 VAL A 75 PRO A 76 2 -11.13
CISPEP 3 VAL A 75 PRO A 76 3 -9.75
CISPEP 4 VAL A 75 PRO A 76 4 -10.75
CISPEP 5 VAL A 75 PRO A 76 5 -10.12
CISPEP 6 VAL A 75 PRO A 76 6 -10.14
CISPEP 7 VAL A 75 PRO A 76 7 -10.62
CISPEP 8 VAL A 75 PRO A 76 8 -7.26
CISPEP 9 VAL A 75 PRO A 76 9 -8.78
CISPEP 10 VAL A 75 PRO A 76 10 -10.03
CISPEP 11 VAL A 75 PRO A 76 11 -10.18
CISPEP 12 VAL A 75 PRO A 76 12 -10.07
CISPEP 13 VAL A 75 PRO A 76 13 -8.67
CISPEP 14 VAL A 75 PRO A 76 14 -10.10
CISPEP 15 VAL A 75 PRO A 76 15 -10.76
CISPEP 16 VAL A 75 PRO A 76 16 -10.10
CISPEP 17 VAL A 75 PRO A 76 17 -9.01
CISPEP 18 VAL A 75 PRO A 76 18 -10.33
CISPEP 19 VAL A 75 PRO A 76 19 -10.33
CISPEP 20 VAL A 75 PRO A 76 20 -10.04
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