Header list of 1f5e.pdb file
Complete list - 3 20 Bytes
HEADER TRANSCRIPTION/DNA 14-JUN-00 1F5E
TITLE STRUCTURE OF TRANSCRIPTIONAL FACTOR ALCR IN COMPLEX WITH A TARGET DNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(P*CP*GP*TP*GP*CP*GP*GP*AP*TP*C)-3');
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: ALCR CONSENSUS HALF-TARGET;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: DNA (5'-D(P*GP*AP*TP*CP*CP*GP*CP*AP*CP*G)-3');
COMPND 8 CHAIN: B;
COMPND 9 ENGINEERED: YES;
COMPND 10 OTHER_DETAILS: ALCR CONSENSUS HALF-TARGET;
COMPND 11 MOL_ID: 3;
COMPND 12 MOLECULE: ETHANOL REGULON TRANSCRIPTIONAL FACTOR;
COMPND 13 CHAIN: P;
COMPND 14 FRAGMENT: N-TERMINAL DNA-BINDING DOMAIN, RESIDUES 1-60;
COMPND 15 SYNONYM: REGULATORY PROTEIN ALCR;
COMPND 16 ENGINEERED: YES;
COMPND 17 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 MOL_ID: 2;
SOURCE 4 SYNTHETIC: YES;
SOURCE 5 MOL_ID: 3;
SOURCE 6 ORGANISM_SCIENTIFIC: EMERICELLA NIDULANS;
SOURCE 7 ORGANISM_TAXID: 162425;
SOURCE 8 VARIANT: EMERICELLA;
SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 10 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS PROTEIN-DNA COMPLEX, ZINC BINUCLEAR CLUSTER PROTEIN, TRANSCRIPTION-
KEYWDS 2 DNA COMPLEX
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR B.CAHUZAC,R.CERDAN,B.FELENBOK,E.GUITTET
REVDAT 4 03-NOV-21 1F5E 1 REMARK SEQADV LINK
REVDAT 3 24-FEB-09 1F5E 1 VERSN
REVDAT 2 01-APR-03 1F5E 1 JRNL
REVDAT 1 28-SEP-01 1F5E 0
JRNL AUTH B.CAHUZAC,R.CERDAN,B.FELENBOK,E.GUITTET
JRNL TITL THE SOLUTION STRUCTURE OF AN ALCR-DNA COMPLEX SHEDS LIGHT
JRNL TITL 2 ONTO THE UNIQUE TIGHT AND MONOMERIC DNA BINDING OF A
JRNL TITL 3 ZN(2)CYS(6) PROTEIN.
JRNL REF STRUCTURE V. 9 827 2001
JRNL REFN ISSN 0969-2126
JRNL PMID 11566132
JRNL DOI 10.1016/S0969-2126(01)00640-2
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.1, X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 1142 NOE-DERIVED CONSTRAINTS, 76 H-BOND CONSTRAINTS, 33 PHI ANGLE
REMARK 3 RESTRAINTS, 118 LOOSE ANGLE RESTRAINTS ON THE DNA BACKBONE
REMARK 4
REMARK 4 1F5E COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-JUN-00.
REMARK 100 THE DEPOSITION ID IS D_1000011263.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 5.9
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1 MM ALCR U-15N, 1.1 MM DOUBLE
REMARK 210 STRANDED DNA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNHA
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DMX; DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : GIFA 4, DIANA
REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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: TRIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, P
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 HG SER P 62 N SER P 63 0.73
REMARK 500 OG SER P 62 N SER P 63 0.75
REMARK 500 HB3 SER P 62 N SER P 63 0.77
REMARK 500 HG SER P 62 H SER P 63 0.80
REMARK 500 C ASN P 61 H SER P 62 0.82
REMARK 500 OG SER P 62 H SER P 63 0.88
REMARK 500 O ASN P 61 N SER P 62 0.89
REMARK 500 N3 DA B 2 HH21 ARG P 6 0.95
REMARK 500 HB3 SER P 62 H SER P 63 1.01
REMARK 500 CB SER P 62 N SER P 63 1.02
REMARK 500 O ASN P 61 H SER P 62 1.03
REMARK 500 HB2 ASP P 13 HZ2 TRP P 53 1.03
REMARK 500 C SER P 62 H SER P 63 1.04
REMARK 500 C GLY P -1 H SER P 0 1.06
REMARK 500 HB3 SER P 62 HA SER P 63 1.07
REMARK 500 HA SER P 62 N SER P 63 1.12
REMARK 500 C SER P 62 HA SER P 63 1.13
REMARK 500 HB2 SER P 0 N MET P 1 1.13
REMARK 500 O SER P 62 N SER P 63 1.15
REMARK 500 O GLY P -1 N SER P 0 1.16
REMARK 500 C SER P 0 HA MET P 1 1.18
REMARK 500 HB3 SER P 62 CA SER P 63 1.20
REMARK 500 HA2 GLY P -1 N SER P 0 1.20
REMARK 500 HB3 ASP P 13 HZ2 TRP P 53 1.20
REMARK 500 CA SER P 62 N SER P 63 1.22
REMARK 500 CB SER P 62 H SER P 63 1.22
REMARK 500 HG SER P 62 CA SER P 63 1.22
REMARK 500 HG SER P 62 HA SER P 63 1.23
REMARK 500 C SER P 62 CA SER P 63 1.25
REMARK 500 OG SER P 62 HA SER P 63 1.25
REMARK 500 C THR P 4 H ARG P 5 1.25
REMARK 500 C ALA P 2 H ASP P 3 1.26
REMARK 500 OG SER P 62 CA SER P 63 1.27
REMARK 500 C GLY P -1 HG SER P 0 1.27
REMARK 500 H MET P 1 N ALA P 2 1.28
REMARK 500 C LYS P 60 H ASN P 61 1.29
REMARK 500 OD1 ASN P 61 N SER P 62 1.31
REMARK 500 HB3 SER P 0 N MET P 1 1.32
REMARK 500 HA SER P 62 H SER P 63 1.32
REMARK 500 OD1 ASN P 61 H SER P 62 1.32
REMARK 500 C LYS P 60 HB3 ASN P 61 1.35
REMARK 500 C GLY P -1 OG SER P 0 1.35
REMARK 500 C GLY P -1 HA SER P 0 1.35
REMARK 500 CB ASP P 13 HZ2 TRP P 53 1.36
REMARK 500 CB SER P 0 N MET P 1 1.38
REMARK 500 O GLY P -1 H SER P 0 1.38
REMARK 500 CA GLY P -1 N SER P 0 1.39
REMARK 500 O THR P 4 N ARG P 5 1.39
REMARK 500 O LYS P 60 HB3 ASN P 61 1.40
REMARK 500 CA SER P 0 N MET P 1 1.40
REMARK 500
REMARK 500 THIS ENTRY HAS 121 CLOSE CONTACTS
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 DC A 1 P DC A 1 OP1 -0.994
REMARK 500 DC A 1 P DC A 1 OP2 -0.762
REMARK 500 DC A 1 P DC A 1 O5' -0.062
REMARK 500 DG A 2 C3' DG A 2 C2' -0.134
REMARK 500 DG A 2 C2' DG A 2 C1' -0.070
REMARK 500 DG A 2 O4' DG A 2 C4' -0.062
REMARK 500 DG A 2 O3' DG A 2 C3' -0.049
REMARK 500 DG A 2 O3' DT A 3 P -0.114
REMARK 500 DT A 3 P DT A 3 OP1 -0.146
REMARK 500 DT A 3 P DT A 3 OP2 -0.155
REMARK 500 DT A 3 P DT A 3 O5' -0.121
REMARK 500 DT A 3 C6 DT A 3 N1 -0.045
REMARK 500 DG A 4 O3' DG A 4 C3' -0.044
REMARK 500 DC A 5 O3' DC A 5 C3' -0.069
REMARK 500 DG A 6 P DG A 6 OP1 -0.251
REMARK 500 DG A 6 P DG A 6 OP2 -0.266
REMARK 500 DG A 6 P DG A 6 O5' -0.146
REMARK 500 DG A 6 O5' DG A 6 C5' -0.280
REMARK 500 DG A 6 C4' DG A 6 C3' -0.061
REMARK 500 DG A 6 C3' DG A 6 C2' -0.072
REMARK 500 DG A 6 O3' DG A 6 C3' -0.117
REMARK 500 DG A 7 P DG A 7 OP1 -0.116
REMARK 500 DG A 7 P DG A 7 OP2 -0.110
REMARK 500 DG A 7 P DG A 7 O5' -0.112
REMARK 500 DA A 8 P DA A 8 O5' -0.067
REMARK 500 DT A 9 C5' DT A 9 C4' -0.102
REMARK 500 DT A 9 C4' DT A 9 C3' -0.166
REMARK 500 DT A 9 C3' DT A 9 C2' -0.063
REMARK 500 DT A 9 O3' DT A 9 C3' -0.351
REMARK 500 DT A 9 O3' DC A 10 P -0.228
REMARK 500 DC A 10 P DC A 10 OP1 -0.698
REMARK 500 DC A 10 P DC A 10 OP2 -0.856
REMARK 500 DC A 10 P DC A 10 O5' -0.502
REMARK 500 DC A 10 O5' DC A 10 C5' -0.848
REMARK 500 DC A 10 C5' DC A 10 C4' -0.184
REMARK 500 DC A 10 C4' DC A 10 C3' -0.091
REMARK 500 DC A 10 C3' DC A 10 C2' -0.132
REMARK 500 DC A 10 C2' DC A 10 C1' -0.118
REMARK 500 DC A 10 O4' DC A 10 C4' -0.221
REMARK 500 DC A 10 O3' DC A 10 C3' -0.264
REMARK 500 DC A 10 N1 DC A 10 C6 -0.050
REMARK 500 DC A 10 N3 DC A 10 C4 -0.042
REMARK 500 DG B 1 P DG B 1 OP1 -0.768
REMARK 500 DG B 1 P DG B 1 OP2 -0.622
REMARK 500 DG B 1 C5' DG B 1 C4' -0.109
REMARK 500 DG B 1 C4' DG B 1 C3' -0.174
REMARK 500 DG B 1 C3' DG B 1 C2' -0.217
REMARK 500 DG B 1 C2' DG B 1 C1' -0.109
REMARK 500 DG B 1 O4' DG B 1 C1' -0.164
REMARK 500 DG B 1 O4' DG B 1 C4' -0.122
REMARK 500
REMARK 500 THIS ENTRY HAS 268 BOND DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
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 DC A 1 OP1 - P - OP2 ANGL. DEV. = -53.9 DEGREES
REMARK 500 DC A 1 O5' - P - OP1 ANGL. DEV. = 31.7 DEGREES
REMARK 500 DC A 1 O5' - P - OP2 ANGL. DEV. = 40.8 DEGREES
REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES
REMARK 500 DG A 2 C3' - O3' - P ANGL. DEV. = 9.9 DEGREES
REMARK 500 DG A 6 C4' - C3' - C2' ANGL. DEV. = 5.5 DEGREES
REMARK 500 DT A 9 C4' - C3' - C2' ANGL. DEV. = 11.2 DEGREES
REMARK 500 DT A 9 C3' - O3' - P ANGL. DEV. = 12.8 DEGREES
REMARK 500 DC A 10 O3' - P - O5' ANGL. DEV. = 40.3 DEGREES
REMARK 500 DC A 10 O3' - P - OP2 ANGL. DEV. = -35.5 DEGREES
REMARK 500 DC A 10 O3' - P - OP1 ANGL. DEV. = 26.4 DEGREES
REMARK 500 DC A 10 OP1 - P - OP2 ANGL. DEV. = 12.9 DEGREES
REMARK 500 DC A 10 O5' - P - OP1 ANGL. DEV. = -47.3 DEGREES
REMARK 500 DC A 10 O5' - P - OP2 ANGL. DEV. = 18.0 DEGREES
REMARK 500 DC A 10 P - O5' - C5' ANGL. DEV. = 20.1 DEGREES
REMARK 500 DC A 10 O4' - C4' - C3' ANGL. DEV. = -9.2 DEGREES
REMARK 500 DC A 10 C5' - C4' - C3' ANGL. DEV. = 12.9 DEGREES
REMARK 500 DC A 10 C1' - O4' - C4' ANGL. DEV. = 9.5 DEGREES
REMARK 500 DC A 10 C4' - C3' - C2' ANGL. DEV. = 11.6 DEGREES
REMARK 500 DC A 10 C3' - C2' - C1' ANGL. DEV. = -5.5 DEGREES
REMARK 500 DC A 10 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES
REMARK 500 DG B 1 OP1 - P - OP2 ANGL. DEV. = -48.9 DEGREES
REMARK 500 DG B 1 O5' - P - OP1 ANGL. DEV. = 31.4 DEGREES
REMARK 500 DG B 1 O5' - P - OP2 ANGL. DEV. = 12.4 DEGREES
REMARK 500 DG B 1 C3' - C2' - C1' ANGL. DEV. = 9.4 DEGREES
REMARK 500 DG B 1 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES
REMARK 500 DG B 1 C4 - C5 - N7 ANGL. DEV. = -2.6 DEGREES
REMARK 500 DG B 1 C3' - O3' - P ANGL. DEV. = 8.8 DEGREES
REMARK 500 DC B 5 C3' - C2' - C1' ANGL. DEV. = 8.8 DEGREES
REMARK 500 DC B 5 C3' - O3' - P ANGL. DEV. = 10.8 DEGREES
REMARK 500 DC B 7 O5' - P - OP1 ANGL. DEV. = -7.0 DEGREES
REMARK 500 GLY P -1 N - CA - C ANGL. DEV. = 49.3 DEGREES
REMARK 500 GLY P -1 CA - C - O ANGL. DEV. = 107.3 DEGREES
REMARK 500 GLY P -1 CA - C - N ANGL. DEV. = 56.9 DEGREES
REMARK 500 GLY P -1 O - C - N ANGL. DEV. = 49.8 DEGREES
REMARK 500 SER P 0 C - N - CA ANGL. DEV. = 53.2 DEGREES
REMARK 500 SER P 0 CB - CA - C ANGL. DEV. = -46.5 DEGREES
REMARK 500 SER P 0 N - CA - CB ANGL. DEV. = 13.3 DEGREES
REMARK 500 SER P 0 N - CA - C ANGL. DEV. = 61.5 DEGREES
REMARK 500 SER P 0 CA - C - O ANGL. DEV. = -21.9 DEGREES
REMARK 500 SER P 0 O - C - N ANGL. DEV. = 20.6 DEGREES
REMARK 500 MET P 1 CB - CA - C ANGL. DEV. = -22.6 DEGREES
REMARK 500 MET P 1 N - CA - CB ANGL. DEV. = 20.9 DEGREES
REMARK 500 MET P 1 CA - CB - CG ANGL. DEV. = -66.1 DEGREES
REMARK 500 MET P 1 CB - CG - SD ANGL. DEV. = -27.9 DEGREES
REMARK 500 MET P 1 CG - SD - CE ANGL. DEV. = -32.5 DEGREES
REMARK 500 MET P 1 O - C - N ANGL. DEV. = 13.3 DEGREES
REMARK 500 ASP P 3 CB - CA - C ANGL. DEV. = 14.1 DEGREES
REMARK 500 ASP P 3 N - CA - CB ANGL. DEV. = -22.5 DEGREES
REMARK 500 ASP P 3 CA - CB - CG ANGL. DEV. = 35.0 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 176 ANGLE DEVIATIONS.
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 SER P 0 -70.15 -98.42
REMARK 500 MET P 1 23.87 -151.60
REMARK 500 ASP P 3 54.87 -97.57
REMARK 500 ARG P 6 133.02 70.40
REMARK 500 ARG P 7 66.93 79.23
REMARK 500 GLN P 8 -55.74 -131.38
REMARK 500 HIS P 10 144.34 67.21
REMARK 500 LYS P 19 66.58 60.86
REMARK 500 ALA P 24 100.10 -38.31
REMARK 500 TRP P 36 -124.12 -104.53
REMARK 500 VAL P 37 -91.80 158.69
REMARK 500 CYS P 39 -169.79 -63.66
REMARK 500 ASN P 41 -78.46 -73.36
REMARK 500 ASN P 46 44.41 27.89
REMARK 500 LYS P 47 -123.07 -72.74
REMARK 500 CYS P 49 101.58 -43.07
REMARK 500 ASN P 52 -77.86 -96.26
REMARK 500 ARG P 58 -70.06 -77.67
REMARK 500 LYS P 60 -158.64 -69.27
REMARK 500 ASN P 61 143.69 160.60
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 P 64 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS P 12 SG
REMARK 620 2 CYS P 15 SG 111.7
REMARK 620 3 CYS P 22 SG 114.2 111.3
REMARK 620 4 CYS P 39 SG 96.5 112.0 110.3
REMARK 620 N 1 2 3
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 ZN P 65 ZN
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 CYS P 12 SG
REMARK 620 2 CYS P 39 SG 95.5
REMARK 620 3 CYS P 42 SG 122.1 105.5
REMARK 620 4 CYS P 49 SG 107.9 119.3 107.1
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 P 64
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN P 65
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 2ALC RELATED DB: PDB
REMARK 900 FREE PROTEIN, MINIMIZED AVERAGED STRUCTURE
REMARK 900 RELATED ID: 3ALC RELATED DB: PDB
REMARK 900 FREE PROTEIN, 17 MODELS
REMARK 900 RELATED ID: 1F4S RELATED DB: PDB
REMARK 900 PROTEIN-DNA COMPLEX, 10 MODELS
DBREF 1F5E P 1 63 UNP P21228 ALCR_EMENI 1 63
DBREF 1F5E A 1 10 PDB 1F5E 1F5E 1 10
DBREF 1F5E B 1 10 PDB 1F5E 1F5E 1 10
SEQADV 1F5E GLY P -1 UNP P21228 INSERTION
SEQADV 1F5E SER P 0 UNP P21228 INSERTION
SEQADV 1F5E ASN P 61 UNP P21228 ALA 61 ENGINEERED MUTATION
SEQADV 1F5E SER P 62 UNP P21228 LYS 62 ENGINEERED MUTATION
SEQADV 1F5E SER P 63 UNP P21228 GLY 63 ENGINEERED MUTATION
SEQRES 1 A 10 DC DG DT DG DC DG DG DA DT DC
SEQRES 1 B 10 DG DA DT DC DC DG DC DA DC DG
SEQRES 1 P 65 GLY SER MET ALA ASP THR ARG ARG ARG GLN ASN HIS SER
SEQRES 2 P 65 CYS ASP PRO CYS ARG LYS GLY LYS ARG ARG CYS ASP ALA
SEQRES 3 P 65 PRO GLU ASN ARG ASN GLU ALA ASN GLU ASN GLY TRP VAL
SEQRES 4 P 65 SER CYS SER ASN CYS LYS ARG TRP ASN LYS ASP CYS THR
SEQRES 5 P 65 PHE ASN TRP LEU SER SER GLN ARG SER LYS ASN SER SER
HET ZN P 64 1
HET ZN P 65 1
HETNAM ZN ZINC ION
FORMUL 4 ZN 2(ZN 2+)
FORMUL 6 HOH *(H2 O)
HELIX 1 1 CYS P 12 LYS P 19 1 8
HELIX 2 2 ASN P 27 ASN P 34 1 8
HELIX 3 3 CYS P 39 TRP P 45 1 7
HELIX 4 4 PHE P 51 ARG P 58 1 8
LINK SG CYS P 12 ZN ZN P 64 1555 1555 2.25
LINK SG CYS P 12 ZN ZN P 65 1555 1555 2.30
LINK SG CYS P 15 ZN ZN P 64 1555 1555 2.24
LINK SG CYS P 22 ZN ZN P 64 1555 1555 2.23
LINK SG CYS P 39 ZN ZN P 64 1555 1555 2.35
LINK SG CYS P 39 ZN ZN P 65 1555 1555 2.34
LINK SG CYS P 42 ZN ZN P 65 1555 1555 2.20
LINK SG CYS P 49 ZN ZN P 65 1555 1555 2.30
SITE 1 AC1 5 CYS P 12 CYS P 15 CYS P 22 CYS P 39
SITE 2 AC1 5 ZN P 65
SITE 1 AC2 5 CYS P 12 CYS P 39 CYS P 42 CYS P 49
SITE 2 AC2 5 ZN P 64
CRYST1 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 - 3 20 Bytes