Header list of 1zw8.pdb file
Complete list - t 20 2 Bytes
HEADER TRANSCRIPTION 03-JUN-05 1ZW8
TITLE SOLUTION STRUCTURE OF A ZAP1 ZINC-RESPONSIVE DOMAIN PROVIDES INSIGHTS
TITLE 2 INTO METALLOREGULATORY TRANSCRIPTIONAL REPRESSION IN SACCHAROMYCES
TITLE 3 CEREVISIAE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ZINC-RESPONSIVE TRANSCRIPTIONAL REGULATOR ZAP1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: TWO INTERACTING ZINC FINGERS;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 GENE: ZAP1;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: P21A-ZZF1-2;
SOURCE 11 OTHER_DETAILS: ZAP1 GENE DERIVED FROM PYEF2ZAP1. (GIFT FROM D.J.
SOURCE 12 EIDE, UNIVERSITY OF WISCONSIN-MADISON). ZZF1-2 PORTION OF GENE
SOURCE 13 CLONED INTO PET-21A PLASMID (NOVAGEN). FURTHER DETAILS CAN BE FOUND
SOURCE 14 IN ENTRY CITATION.
KEYWDS ZAP1; INTERACTING C2H2 ZINC FINGERS; BETA-BETA-ALPHA; NMR SOLUTION
KEYWDS 2 STRUCTURE, TRANSCRIPTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR Z.WANG,L.S.FENG,K.VENKATARAMAN,V.A.MATSKEVICH,P.PARASURAM,J.H.LAITY
REVDAT 4 20-OCT-21 1ZW8 1 REMARK SEQADV LINK
REVDAT 3 24-FEB-09 1ZW8 1 VERSN
REVDAT 2 28-MAR-06 1ZW8 1 JRNL
REVDAT 1 10-JAN-06 1ZW8 0
JRNL AUTH Z.WANG,L.S.FENG,V.MATSKEVICH,K.VENKATARAMAN,P.PARASURAM,
JRNL AUTH 2 J.H.LAITY
JRNL TITL SOLUTION STRUCTURE OF A ZAP1 ZINC-RESPONSIVE DOMAIN PROVIDES
JRNL TITL 2 INSIGHTS INTO METALLOREGULATORY TRANSCRIPTIONAL REPRESSION
JRNL TITL 3 IN SACCHAROMYCES CEREVISIAE.
JRNL REF J.MOL.BIOL. V. 357 1167 2006
JRNL REFN ISSN 0022-2836
JRNL PMID 16483601
JRNL DOI 10.1016/J.JMB.2006.01.010
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.J.BIRD,K.MCCAL,M.KRAMER,E.BLANKMAN,D.R.WINGE,D.J.EID
REMARK 1 TITL ZINC FINGERS CAN ACT AS ZN(II) SENSORS TO REGULATE
REMARK 1 TITL 2 TRANSCRIPTIONAL ACTIVATION DOMAIN FUNCTION
REMARK 1 REF EMBO J. V. 22 5137 2003
REMARK 1 REFN ISSN 0261-4189
REMARK 1 REFERENCE 2
REMARK 1 AUTH H.ZHAO,D.J.EIDE
REMARK 1 TITL ZAP1P, A METALLOREGULATORY PROTEIN INVOLVED IN
REMARK 1 TITL 2 ZINC-RESPONSIVE TRANSCRIPTIONAL REGULATION IN SACCHAROMYCES
REMARK 1 TITL 3 CEREVISIAE
REMARK 1 REF MOL.CELL V. 17 5044 1997
REMARK 1 REFN ISSN 1097-2765
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : A.T.BRUNGER, P.D.ADAMS, G.M.CLORE, W.L.DELANO,
REMARK 3 P.GROS, R.W.GROSSE-KUNSTLEVE, J.-S.JIANG,
REMARK 3 J.KUSZEWSKI, M.NILGES, N.S.PANNU, R.J.READ,
REMARK 3 L.M.RICE, T.SIMONSON, G.L.WARREN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 1443 NOE-DERIVED DISTANCE RESTRAINTS,
REMARK 3 AND 98 DIHEDRAL ANGLE RESTRAINTS.
REMARK 4
REMARK 4 1ZW8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JUN-05.
REMARK 100 THE DEPOSITION ID IS D_1000033195.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 6.9
REMARK 210 IONIC STRENGTH : NO SALT
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 0.7 MM PROTEIN, 1.5 MM ZN(II),
REMARK 210 20 MM MES, 0.2 MM DSS, 1 MM NAN2,
REMARK 210 5 MM BETA-MERCAPTOETHANOL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS COMBINED
REMARK 210 WITH CARTESIAN REFINEMENT
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
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 : 1
REMARK 210
REMARK 210 REMARK:
REMARK 210 PULSE SQUENCES WERE FROM THE VARIAN BIOPACK SOFTWARE PACKAGE ADD-ON
REMARK 210 WITHIN VNMR TWO 3D 13C-NOESY-HSQC SPECTRA WERE RECORDED IN 99%
REMARK 210 (V/V)D2O WITH CARRIER CENTERED ON ALIPHATIC (43 PPM) AND AROMATIC
REMARK 210 (125
REMARK 210 PPM) REGIONS, RESPECTIVIELY.
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 ILE A 57 H ILE A 61 1.57
REMARK 500 O LEU A 20 H LEU A 24 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 VAL A 29 86.01 -161.05
REMARK 500 1 GLN A 31 109.85 66.84
REMARK 500 1 MET A 37 70.76 -155.17
REMARK 500 2 VAL A 29 84.32 -161.76
REMARK 500 2 GLN A 31 112.79 62.96
REMARK 500 2 MET A 37 28.41 -140.31
REMARK 500 3 GLN A 31 103.57 62.80
REMARK 500 3 PHE A 33 -40.86 80.22
REMARK 500 3 MET A 37 30.11 -163.19
REMARK 500 4 GLN A 31 82.86 -56.64
REMARK 500 4 PHE A 33 -26.69 -177.59
REMARK 500 4 MET A 37 37.30 -175.77
REMARK 500 5 VAL A 29 59.82 -172.77
REMARK 500 5 GLN A 31 92.04 43.46
REMARK 500 5 LYS A 34 90.98 43.42
REMARK 500 6 GLN A 31 90.26 62.03
REMARK 500 6 MET A 37 51.56 -113.13
REMARK 500 7 GLN A 31 69.58 61.49
REMARK 500 8 GLN A 31 142.59 63.62
REMARK 500 8 PHE A 33 -65.86 67.52
REMARK 500 8 LYS A 34 46.00 -92.26
REMARK 500 8 MET A 37 68.09 -177.47
REMARK 500 8 ASN A 43 30.14 -98.04
REMARK 500 9 VAL A 29 66.29 -168.44
REMARK 500 9 GLN A 31 102.02 64.97
REMARK 500 9 GLU A 38 97.10 -165.80
REMARK 500 10 GLN A 31 91.40 62.24
REMARK 500 10 MET A 37 85.70 -151.77
REMARK 500 11 GLN A 31 95.36 43.85
REMARK 500 11 LYS A 34 105.28 63.83
REMARK 500 12 GLN A 31 91.80 32.76
REMARK 500 12 GLU A 38 114.31 -165.66
REMARK 500 13 GLN A 31 77.04 44.79
REMARK 500 13 PHE A 33 -175.84 61.93
REMARK 500 13 MET A 37 47.34 -175.42
REMARK 500 14 GLN A 31 108.46 61.58
REMARK 500 14 PHE A 33 -167.57 -177.53
REMARK 500 14 MET A 37 53.19 -172.80
REMARK 500 15 VAL A 29 69.50 -166.07
REMARK 500 15 GLN A 31 123.06 76.89
REMARK 500 15 MET A 37 82.15 -154.03
REMARK 500 16 GLN A 31 84.13 60.94
REMARK 500 16 PHE A 33 -177.53 61.14
REMARK 500 16 MET A 37 88.75 -162.56
REMARK 500 17 GLN A 31 73.95 61.81
REMARK 500 17 PHE A 33 -165.03 -169.42
REMARK 500 18 GLN A 31 84.94 80.07
REMARK 500 18 PHE A 33 -57.24 73.59
REMARK 500 18 LYS A 34 80.69 -61.47
REMARK 500 18 MET A 37 -73.22 -108.35
REMARK 500
REMARK 500 THIS ENTRY HAS 59 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A 66 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 5 SG
REMARK 620 2 CYS A 10 SG 109.9
REMARK 620 3 HIS A 23 NE2 109.6 110.7
REMARK 620 4 HIS A 28 NE2 110.2 109.2 107.2
REMARK 620 N 1 2 3
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN A 67 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 42 SG
REMARK 620 2 CYS A 47 SG 112.7
REMARK 620 3 HIS A 60 NE2 110.1 111.1
REMARK 620 4 HIS A 65 NE2 111.6 108.6 102.3
REMARK 620 N 1 2 3
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 66
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 67
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 6648 RELATED DB: BMRB
REMARK 900 TWO ZINC FINGERS THAT FORM AN UNUSUAL STABLE INTERACTING MOTIF
REMARK 900 SIMILAR TO F1-2 OF HUMAN GLIOBLASTOMA PROTO-ONCOGENE PROTEIN
REMARK 900 [PAVLETICH AND PABO 1993, SCIENCE 261(5129) PP1701-1707]
REMARK 900 RELATED ID: 6653 RELATED DB: BMRB
REMARK 900 SINGLE ZINC FINGER (ZZF1L) OF ZZF1-2 USED FOR COMPARATIVE STUDY.
DBREF 1ZW8 A 2 65 UNP P47043 ZAP1_YEAST 578 641
SEQADV 1ZW8 ALA A 14 UNP P47043 CYS 590 ENGINEERED MUTATION
SEQADV 1ZW8 ALA A 55 UNP P47043 CYS 631 ENGINEERED MUTATION
SEQADV 1ZW8 ALA A 63 UNP P47043 CYS 639 ENGINEERED MUTATION
SEQRES 1 A 64 ASP LEU LYS CYS LYS TRP LYS GLU CYS PRO GLU SER ALA
SEQRES 2 A 64 SER SER LEU PHE ASP LEU GLN ARG HIS LEU LEU LYS ASP
SEQRES 3 A 64 HIS VAL SER GLN ASP PHE LYS HIS PRO MET GLU PRO LEU
SEQRES 4 A 64 ALA CYS ASN TRP GLU ASP CYS ASP PHE LEU GLY ASP ASP
SEQRES 5 A 64 THR ALA SER ILE VAL ASN HIS ILE ASN ALA GLN HIS
HET ZN A 66 1
HET ZN A 67 1
HETNAM ZN ZINC ION
FORMUL 2 ZN 2(ZN 2+)
HELIX 1 1 SER A 16 HIS A 28 1 13
HELIX 2 2 ASP A 53 HIS A 65 1 13
SHEET 1 A 2 LEU A 40 ALA A 41 0
SHEET 2 A 2 LEU A 50 GLY A 51 -1 O GLY A 51 N LEU A 40
LINK SG CYS A 5 ZN ZN A 66 1555 1555 2.31
LINK SG CYS A 10 ZN ZN A 66 1555 1555 2.30
LINK NE2 HIS A 23 ZN ZN A 66 1555 1555 2.00
LINK NE2 HIS A 28 ZN ZN A 66 1555 1555 2.00
LINK SG CYS A 42 ZN ZN A 67 1555 1555 2.32
LINK SG CYS A 47 ZN ZN A 67 1555 1555 2.29
LINK NE2 HIS A 60 ZN ZN A 67 1555 1555 1.99
LINK NE2 HIS A 65 ZN ZN A 67 1555 1555 2.00
SITE 1 AC1 4 CYS A 5 CYS A 10 HIS A 23 HIS A 28
SITE 1 AC2 5 CYS A 42 CYS A 47 PHE A 49 HIS A 60
SITE 2 AC2 5 HIS A 65
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 - t 20 2 Bytes