Header list of 2ab7.pdb file
Complete list - 9 202 Bytes
HEADER RNA BINDING PROTEIN 14-JUL-05 2AB7
TITLE SOLUTION STRUCTURES AND CHARACTERIZATION OF HIV RRE IIB RNA TARGETING
TITLE 2 ZINC FINGER PROTEINS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ZNF29G29R;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SINGLE ZINC FINGER PROTEIN;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21DE3 PLYS S (NOVAGEN);
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET32B(+)EK/LIC
KEYWDS ZINC FINGER PROTEIN, BETA BETA ALPHA, RREIIB-TR, RNA BINDING PROTEIN
EXPDTA SOLUTION NMR
AUTHOR S.H.MISHRA,C.M.SHELLEY,M.K.DARBY,M.W.GERMANN
REVDAT 4 09-MAR-22 2AB7 1 REMARK LINK
REVDAT 3 24-FEB-09 2AB7 1 VERSN
REVDAT 2 24-APR-07 2AB7 1 JRNL
REVDAT 1 02-AUG-05 2AB7 0
JRNL AUTH S.H.MISHRA,C.M.SHELLEY,D.J.BARROW,M.K.DARBY,M.W.GERMANN
JRNL TITL SOLUTION STRUCTURES AND CHARACTERIZATION OF HUMAN
JRNL TITL 2 IMMUNODEFICIENCY VIRUS REV RESPONSIVE ELEMENT IIB RNA
JRNL TITL 3 TARGETING ZINC FINGER PROTEINS.
JRNL REF BIOPOLYMERS V. 83 352 2006
JRNL REFN ISSN 0006-3525
JRNL PMID 16826557
JRNL DOI 10.1002/BIP.20565
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.5, DYANA 1.5, AMBER 7
REMARK 3 AUTHORS : BRUKER ANALYTIK GMBH (XWINNMR), GUENTERT, P.
REMARK 3 (DYANA), CASE ET AL (AMBER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURE IS BASED ON A TOTAL OF 242 RESTRAINTS, 177 ARE
REMARK 3 NOE-DERIVED DISTANCE RESTRAINTS, 41 DIHEDRAL ANGLE RESTRAINTS, 16
REMARK 3 DISTANCE RESTRAINTS FROM HYDROGEN BONDS, 8 DISTANCE CONSTRAINTS
REMARK 3 FROM
REMARK 3 COORDINATED ZINC ION.
REMARK 4
REMARK 4 2AB7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-JUL-05.
REMARK 100 THE DEPOSITION ID IS D_1000033704.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : ~ 35 MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.2 MM ZNF29G29R; 10 MM
REMARK 210 PHOSPHATE BUFFER PH 6.8, 2MM
REMARK 210 MERCAPTOETHANOL, 200 UM SODIUM
REMARK 210 AZIDE, 50 UM ZINC SULFATE, 90%
REMARK 210 H2O, 10% D2O; 1.2 MM ZNF29G29R;
REMARK 210 10 MM PHOSPHATE BUFFER PH *6.4,
REMARK 210 2MM MERCAPTOETHANOL, 200 UM
REMARK 210 SODIUM AZIDE, 50 UM ZINC SULFATE,
REMARK 210 "100%" D2O; 1.2 MM ZNF29G29R 15N;
REMARK 210 10 MM PHOSPHATE BUFFER PH 6.8,
REMARK 210 2MM MERCAPTOETHANOL, 200 UM
REMARK 210 SODIUM AZIDE, 50 UM ZINC SULFATE,
REMARK 210 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY; E
REMARK 210 -COSY; 13 C HSQC; 15 N HSQC;
REMARK 210 HMQC NOESY; HMQC TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SPARKY 3
REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION
REMARK 210 ANGLE DYNAMICS, MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 1
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: 13 C HSQC DONE AT NATURAL ABUNDANCE
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: 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 PHE A 7 173.06 -56.58
REMARK 500 GLU A 8 11.05 -63.35
REMARK 500 ASN A 9 -32.76 -162.61
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 30 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS A 5 SG
REMARK 620 2 CYS A 5 O 77.1
REMARK 620 3 CYS A 10 SG 152.7 79.0
REMARK 620 4 HIS A 23 NE2 92.6 128.9 92.2
REMARK 620 5 HIS A 27 NE2 99.5 143.9 107.6 86.8
REMARK 620 N 1 2 3 4
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 30
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2AB3 RELATED DB: PDB
REMARK 900 THIS PROTEIN HAS THE SAME SEQUENCE AS ZNF29G29R WITH THE TERMINAL
REMARK 900 GLYCINE REPLACED BY AN ARGININE.
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 THE SEQUENCE HAS NOT BEEN DEPOSITED IN ANY DATABASE
DBREF 2AB7 A 1 29 PDB 2AB7 2AB7 1 29
SEQRES 1 A 29 MET VAL TYR VAL CYS HIS PHE GLU ASN CYS GLY ARG SER
SEQRES 2 A 29 PHE ASN ASP ARG ARG LYS LEU ASN ARG HIS LYS LYS ILE
SEQRES 3 A 29 HIS THR ARG
HET ZN A 30 1
HETNAM ZN ZINC ION
FORMUL 2 ZN ZN 2+
HELIX 1 1 ASP A 16 LYS A 24 1 9
HELIX 2 2 LYS A 25 THR A 28 5 4
SHEET 1 A 2 TYR A 3 CYS A 5 0
SHEET 2 A 2 ARG A 12 PHE A 14 -1 O ARG A 12 N CYS A 5
LINK SG CYS A 5 ZN ZN A 30 1555 1555 2.27
LINK O CYS A 5 ZN ZN A 30 1555 1555 2.73
LINK SG CYS A 10 ZN ZN A 30 1555 1555 2.29
LINK NE2 HIS A 23 ZN ZN A 30 1555 1555 2.22
LINK NE2 HIS A 27 ZN ZN A 30 1555 1555 2.25
SITE 1 AC1 4 CYS A 5 CYS A 10 HIS A 23 HIS A 27
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
Complete list - 9 202 Bytes