Header list of 1zq3.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSCRIPTION/DNA 18-MAY-05 1ZQ3
TITLE NMR SOLUTION STRUCTURE OF THE BICOID HOMEODOMAIN BOUND TO THE
TITLE 2 CONSENSUS DNA BINDING SITE TAATCC
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 5'-D(*GP*CP*TP*CP*TP*AP*AP*TP*CP*CP*CP*CP*G)-3';
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: CONSENSUS DNA BINDING SITE SENSE STRAND;
COMPND 6 MOL_ID: 2;
COMPND 7 MOLECULE: 5'-D(*CP*GP*GP*GP*GP*AP*TP*TP*AP*GP*AP*GP*C)-3';
COMPND 8 CHAIN: B;
COMPND 9 ENGINEERED: YES;
COMPND 10 OTHER_DETAILS: CONSENSUS DNA BINDING SITE ANTI-SENSE STRAND;
COMPND 11 MOL_ID: 3;
COMPND 12 MOLECULE: HOMEOTIC BICOID PROTEIN;
COMPND 13 CHAIN: P;
COMPND 14 FRAGMENT: HOMEODOMAIN (RESIDUES 97-163);
COMPND 15 SYNONYM: PRD-4;
COMPND 16 ENGINEERED: 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: DROSOPHILA MELANOGASTER;
SOURCE 7 ORGANISM_COMMON: FRUIT FLY;
SOURCE 8 ORGANISM_TAXID: 7227;
SOURCE 9 GENE: BCD;
SOURCE 10 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 11 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 12 EXPRESSION_SYSTEM_STRAIN: BL21STAR;
SOURCE 13 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 14 EXPRESSION_SYSTEM_PLASMID: PET41A-NOVAGEN
KEYWDS PROTEIN-DNA COMPLEX, DOUBLE HELIX, HELIX-TURN-HELIX, HOMEODOMAIN,
KEYWDS 2 DNA-BINDING DOMAIN, K50, RECOGNITION HELIX, TRANSCRIPTION FACTOR,
KEYWDS 3 TRANSLATIONAL CONTROL, TRANSCRIPTION-DNA COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.M.BAIRD-TITUS,M.RANCE,K.CLARK-BALDWIN,J.MA,D.VRUSHANK
REVDAT 4 02-MAR-22 1ZQ3 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1ZQ3 1 VERSN
REVDAT 2 21-MAR-06 1ZQ3 1 JRNL
REVDAT 1 14-FEB-06 1ZQ3 0
JRNL AUTH J.M.BAIRD-TITUS,K.CLARK-BALDWIN,V.DAVE,C.A.CAPERELLI,J.MA,
JRNL AUTH 2 M.RANCE
JRNL TITL THE SOLUTION STRUCTURE OF THE NATIVE K50 BICOID HOMEODOMAIN
JRNL TITL 2 BOUND TO THE CONSENSUS TAATCC DNA-BINDING SITE.
JRNL REF J.MOL.BIOL. V. 356 1137 2006
JRNL REFN ISSN 0022-2836
JRNL PMID 16406070
JRNL DOI 10.1016/J.JMB.2005.12.007
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA 2.0, AMBER 7.0
REMARK 3 AUTHORS : PETER GUNTERT (CYANA), D.A. CASE, T.A. DARDEN,
REMARK 3 T.E. CHEATHAM, III, C.L. SIMMERLING, J. WANG, R.E.
REMARK 3 DUKE, R. LUO, K.M. MERZ, B. WANG, D.A. PEARLMAN,
REMARK 3 M. CROWLEY, S. BROZELL, V. TSUI, H. GOHLKE, J.
REMARK 3 MONGAN, V. HORNAK, G. CUI, P. BEROZA, C.
REMARK 3 SCHAFMEISTER, J.W. CALDWELL, W.S. ROSS, AND P.A.
REMARK 3 KOLLMAN. (AMBER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 1724 TOTAL RESTRAINTS USED, 1076
REMARK 3 PROTEIN DISTANCE RESTRAINTS(NOESY), 34 PROTEIN HYDROGEN BOND
REMARK 3 RESTRAINTS(3D NOESY ,I-I+4), 134 ANGLE RESTRAINTS(HNHA), 192 DNA
REMARK 3 DISTANCE RESTRAINTS(2D NOESY), 55 WATSON-CRICK RESTRAINTS(B-DNA),
REMARK 3 200 DNA ANGLE RESTRAINTS(B-DNA), 33 PROTEIN-DNA DISTANCE
REMARK 3 RESTRAINTS (2D NOESY)
REMARK 4
REMARK 4 1ZQ3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000033010.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 295
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1MM BICOID HOMEODOMAIN
REMARK 210 (15N/13C), 1MM DUPLEX DNA
REMARK 210 (UNLABELED), 10MM PHOSPHATE
REMARK 210 BUFFER, PH 7.0, 1MM DTT, 1MM
REMARK 210 PMSF, 1MM EDTA, 1MM SODIUM AZIDE,
REMARK 210 0.3MM LEUPEPTIN, 0.2MM PEFABLOC
REMARK 210 (ROCHE), 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNHA; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SPARKY 3.109, NMRPIPE
REMARK 210 METHOD USED : PROTEIN STRUCTURE - FAST TORSION
REMARK 210 ANGLE DYNAMICS ALGORITHM
REMARK 210 (CYANA2.0), DNA STRUCTURE -
REMARK 210 NUCGEN AND SIMULATED ANNEALING
REMARK 210 WITH NMR-DERIVED ENERGY
REMARK 210 RESTRAINTS (AMBER7.0), PROTEIN-
REMARK 210 DNA COMPLEX - SIMULATED
REMARK 210 ANNEALING WITH NMR-DERIVED
REMARK 210 ENERGY RESTRAINTS (AMBER7.0),
REMARK 210 PROTEIN-DNA COMPLEX REFINEMENT -
REMARK 210 EXPLICIT SOLVENT MD SIMULATIONS
REMARK 210 (AMBER7.0)
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 : 3
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
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 1 DG A 69 C2' DG A 69 C1' 0.068
REMARK 500 1 DG A 69 N1 DG A 69 C2 -0.050
REMARK 500 1 DG A 69 C8 DG A 69 N9 -0.069
REMARK 500 1 DC A 70 C2' DC A 70 C1' 0.076
REMARK 500 1 DC A 70 O4' DC A 70 C1' -0.081
REMARK 500 1 DC A 70 C5 DC A 70 C6 0.054
REMARK 500 1 DT A 71 O3' DT A 71 C3' -0.055
REMARK 500 1 DT A 71 N1 DT A 71 C2 0.057
REMARK 500 1 DT A 71 C5 DT A 71 C6 0.068
REMARK 500 1 DC A 72 N1 DC A 72 C6 0.048
REMARK 500 1 DT A 73 C3' DT A 73 C2' -0.053
REMARK 500 1 DA A 74 C5 DA A 74 C6 0.074
REMARK 500 1 DA A 75 N3 DA A 75 C4 0.039
REMARK 500 1 DA A 75 C6 DA A 75 N6 -0.050
REMARK 500 1 DT A 76 C5' DT A 76 C4' 0.048
REMARK 500 1 DT A 76 O4' DT A 76 C4' -0.062
REMARK 500 1 DT A 76 C6 DT A 76 N1 -0.048
REMARK 500 1 DT A 76 O3' DC A 77 P -0.081
REMARK 500 1 DC A 78 O3' DC A 78 C3' -0.042
REMARK 500 1 DC A 78 C4 DC A 78 C5 0.050
REMARK 500 1 DC A 80 C5' DC A 80 C4' 0.054
REMARK 500 1 DC A 80 N3 DC A 80 C4 -0.057
REMARK 500 1 DG A 81 C8 DG A 81 N9 -0.042
REMARK 500 1 DC B 82 C5' DC B 82 C4' 0.053
REMARK 500 1 DG B 83 C5' DG B 83 C4' 0.079
REMARK 500 1 DG B 84 P DG B 84 O5' 0.080
REMARK 500 1 DG B 84 C5' DG B 84 C4' 0.058
REMARK 500 1 DG B 84 N3 DG B 84 C4 0.079
REMARK 500 1 DG B 84 C5 DG B 84 N7 0.060
REMARK 500 1 DG B 84 C2 DG B 84 N2 -0.080
REMARK 500 1 DG B 85 C3' DG B 85 C2' 0.092
REMARK 500 1 DG B 86 P DG B 86 O5' 0.074
REMARK 500 1 DG B 86 O4' DG B 86 C4' -0.081
REMARK 500 1 DA B 87 C1' DA B 87 N9 0.081
REMARK 500 1 DA B 87 N3 DA B 87 C4 0.063
REMARK 500 1 DA B 87 C6 DA B 87 N1 -0.046
REMARK 500 1 DA B 87 N9 DA B 87 C4 -0.043
REMARK 500 1 DT B 88 O4' DT B 88 C4' -0.068
REMARK 500 1 DT B 88 O3' DT B 88 C3' -0.062
REMARK 500 1 DT B 88 C5 DT B 88 C7 0.036
REMARK 500 1 DT B 89 P DT B 89 O5' 0.067
REMARK 500 1 DT B 89 C5 DT B 89 C6 0.044
REMARK 500 1 DA B 90 O4' DA B 90 C4' -0.070
REMARK 500 1 DG B 91 N1 DG B 91 C2 -0.052
REMARK 500 1 DG B 91 C5 DG B 91 N7 0.045
REMARK 500 1 DA B 92 C5' DA B 92 C4' 0.063
REMARK 500 1 DA B 92 N1 DA B 92 C2 -0.056
REMARK 500 1 DC B 94 P DC B 94 O5' 0.061
REMARK 500 1 DC B 94 C5' DC B 94 C4' 0.042
REMARK 500 1 DC B 94 C2' DC B 94 C1' 0.075
REMARK 500
REMARK 500 THIS ENTRY HAS 1081 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 1 DG A 69 C5 - N7 - C8 ANGL. DEV. = -4.0 DEGREES
REMARK 500 1 DG A 69 N7 - C8 - N9 ANGL. DEV. = 6.3 DEGREES
REMARK 500 1 DG A 69 C8 - N9 - C4 ANGL. DEV. = -3.5 DEGREES
REMARK 500 1 DC A 70 C1' - O4' - C4' ANGL. DEV. = 5.1 DEGREES
REMARK 500 1 DC A 70 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES
REMARK 500 1 DC A 70 C6 - N1 - C2 ANGL. DEV. = -3.3 DEGREES
REMARK 500 1 DC A 70 N1 - C2 - N3 ANGL. DEV. = 5.1 DEGREES
REMARK 500 1 DC A 70 N3 - C2 - O2 ANGL. DEV. = -8.0 DEGREES
REMARK 500 1 DT A 71 O4' - C1' - C2' ANGL. DEV. = -6.6 DEGREES
REMARK 500 1 DT A 71 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 DT A 71 N3 - C2 - O2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 1 DT A 71 C6 - C5 - C7 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 DC A 72 C3' - C2' - C1' ANGL. DEV. = -5.3 DEGREES
REMARK 500 1 DC A 72 O4' - C1' - N1 ANGL. DEV. = 6.2 DEGREES
REMARK 500 1 DC A 72 C6 - N1 - C2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 DC A 72 N3 - C2 - O2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 1 DT A 73 O4' - C1' - C2' ANGL. DEV. = -7.1 DEGREES
REMARK 500 1 DT A 73 O4' - C1' - N1 ANGL. DEV. = 5.9 DEGREES
REMARK 500 1 DT A 73 C4 - C5 - C7 ANGL. DEV. = 5.2 DEGREES
REMARK 500 1 DT A 73 C6 - C5 - C7 ANGL. DEV. = -5.0 DEGREES
REMARK 500 1 DA A 74 O4' - C1' - N9 ANGL. DEV. = -6.2 DEGREES
REMARK 500 1 DA A 74 C6 - N1 - C2 ANGL. DEV. = -5.0 DEGREES
REMARK 500 1 DA A 74 C4 - C5 - C6 ANGL. DEV. = -5.9 DEGREES
REMARK 500 1 DA A 74 C5 - C6 - N1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 1 DA A 74 C4 - C5 - N7 ANGL. DEV. = 3.7 DEGREES
REMARK 500 1 DA A 74 C5 - N7 - C8 ANGL. DEV. = -5.6 DEGREES
REMARK 500 1 DA A 74 N7 - C8 - N9 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 DA A 74 C8 - N9 - C4 ANGL. DEV. = -4.0 DEGREES
REMARK 500 1 DA A 74 N1 - C6 - N6 ANGL. DEV. = -5.2 DEGREES
REMARK 500 1 DA A 75 O4' - C1' - N9 ANGL. DEV. = 5.4 DEGREES
REMARK 500 1 DA A 75 C4 - C5 - C6 ANGL. DEV. = -6.1 DEGREES
REMARK 500 1 DA A 75 C5 - C6 - N1 ANGL. DEV. = 6.3 DEGREES
REMARK 500 1 DA A 75 C5 - N7 - C8 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 DA A 75 N1 - C6 - N6 ANGL. DEV. = -7.6 DEGREES
REMARK 500 1 DA A 75 C3' - O3' - P ANGL. DEV. = 8.2 DEGREES
REMARK 500 1 DT A 76 O4' - C4' - C3' ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 DT A 76 C2 - N3 - C4 ANGL. DEV. = -4.8 DEGREES
REMARK 500 1 DT A 76 N3 - C2 - O2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 DC A 77 O4' - C1' - N1 ANGL. DEV. = -4.2 DEGREES
REMARK 500 1 DC A 77 C2 - N3 - C4 ANGL. DEV. = -5.7 DEGREES
REMARK 500 1 DC A 77 N3 - C4 - C5 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 DC A 77 C5 - C6 - N1 ANGL. DEV. = -4.3 DEGREES
REMARK 500 1 DC A 77 N1 - C2 - O2 ANGL. DEV. = 4.4 DEGREES
REMARK 500 1 DC A 77 N3 - C2 - O2 ANGL. DEV. = -7.5 DEGREES
REMARK 500 1 DC A 77 N3 - C4 - N4 ANGL. DEV. = -5.5 DEGREES
REMARK 500 1 DC A 78 C5' - C4' - C3' ANGL. DEV. = 8.9 DEGREES
REMARK 500 1 DC A 78 N3 - C4 - C5 ANGL. DEV. = 2.5 DEGREES
REMARK 500 1 DC A 79 C3' - C2' - C1' ANGL. DEV. = -5.2 DEGREES
REMARK 500 1 DC A 79 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES
REMARK 500 1 DC A 79 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 3014 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 1 ARG P 3 70.09 -164.50
REMARK 500 1 ARG P 6 9.67 -63.80
REMARK 500 1 GLN P 63 -2.56 -58.43
REMARK 500 2 THR P 7 121.69 -26.74
REMARK 500 2 GLN P 67 -51.31 -160.04
REMARK 500 3 ARG P 4 -17.03 -155.95
REMARK 500 3 ARG P 6 -23.05 -142.45
REMARK 500 3 ALA P 40 74.26 59.81
REMARK 500 3 HIS P 64 -2.67 -143.84
REMARK 500 4 ARG P 25 -7.13 -58.52
REMARK 500 4 ALA P 40 60.37 66.40
REMARK 500 5 ARG P 4 -18.33 -47.46
REMARK 500 5 ARG P 6 -15.53 62.23
REMARK 500 5 THR P 8 19.45 -145.01
REMARK 500 5 PHE P 9 174.85 57.33
REMARK 500 5 ALA P 40 51.04 78.58
REMARK 500 6 THR P 5 -157.54 -154.47
REMARK 500 6 THR P 7 146.68 101.10
REMARK 500 6 LYS P 65 -179.74 64.80
REMARK 500 8 ARG P 6 172.06 51.06
REMARK 500 8 THR P 7 161.70 -44.91
REMARK 500 8 HIS P 64 -2.39 54.50
REMARK 500 8 GLN P 67 -40.92 -159.35
REMARK 500 9 ASP P 66 -17.38 -158.46
REMARK 500 10 ARG P 3 53.98 -116.39
REMARK 500 10 THR P 5 -178.61 -69.46
REMARK 500 10 ARG P 6 56.61 -146.07
REMARK 500 10 HIS P 64 -14.78 -36.10
REMARK 500 11 TYR P 26 35.07 -144.66
REMARK 500 11 LEU P 27 162.78 60.23
REMARK 500 11 ALA P 40 35.12 76.86
REMARK 500 11 HIS P 64 -26.54 -158.62
REMARK 500 11 LYS P 65 172.08 57.57
REMARK 500 11 ASP P 66 50.95 39.60
REMARK 500 12 ARG P 3 -31.03 -137.97
REMARK 500 12 LEU P 27 164.22 53.97
REMARK 500 12 ALA P 40 46.54 70.19
REMARK 500 12 HIS P 64 8.76 -152.07
REMARK 500 12 ASP P 66 32.10 -158.61
REMARK 500 12 GLN P 67 4.68 -159.67
REMARK 500 13 ARG P 4 3.65 -150.91
REMARK 500 13 PHE P 9 178.37 -57.18
REMARK 500 13 ALA P 40 68.83 64.22
REMARK 500 13 GLN P 63 13.74 -67.43
REMARK 500 14 ARG P 6 -71.77 42.60
REMARK 500 14 THR P 7 111.00 28.17
REMARK 500 14 GLN P 63 -10.06 -146.68
REMARK 500 15 ARG P 4 170.28 -55.27
REMARK 500 16 THR P 5 164.00 -44.66
REMARK 500 16 ALA P 40 70.04 64.19
REMARK 500
REMARK 500 THIS ENTRY HAS 65 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 DG A 69 0.07 SIDE CHAIN
REMARK 500 1 DA A 74 0.07 SIDE CHAIN
REMARK 500 1 DA A 75 0.09 SIDE CHAIN
REMARK 500 1 DT A 76 0.13 SIDE CHAIN
REMARK 500 1 DC A 78 0.09 SIDE CHAIN
REMARK 500 1 DG A 81 0.09 SIDE CHAIN
REMARK 500 1 DC B 82 0.08 SIDE CHAIN
REMARK 500 1 DG B 85 0.08 SIDE CHAIN
REMARK 500 1 DT B 88 0.10 SIDE CHAIN
REMARK 500 1 DT B 89 0.10 SIDE CHAIN
REMARK 500 1 DG B 91 0.08 SIDE CHAIN
REMARK 500 1 DG B 93 0.10 SIDE CHAIN
REMARK 500 1 ARG P 54 0.17 SIDE CHAIN
REMARK 500 1 ARG P 56 0.09 SIDE CHAIN
REMARK 500 2 DG A 69 0.07 SIDE CHAIN
REMARK 500 2 DT A 71 0.11 SIDE CHAIN
REMARK 500 2 DA A 75 0.10 SIDE CHAIN
REMARK 500 2 DT A 76 0.12 SIDE CHAIN
REMARK 500 2 DC A 77 0.08 SIDE CHAIN
REMARK 500 2 DC A 78 0.10 SIDE CHAIN
REMARK 500 2 DG A 81 0.07 SIDE CHAIN
REMARK 500 2 DG B 83 0.06 SIDE CHAIN
REMARK 500 2 DG B 84 0.09 SIDE CHAIN
REMARK 500 2 DG B 86 0.08 SIDE CHAIN
REMARK 500 2 DA B 87 0.06 SIDE CHAIN
REMARK 500 2 DG B 91 0.09 SIDE CHAIN
REMARK 500 2 DG B 93 0.07 SIDE CHAIN
REMARK 500 2 ARG P 4 0.10 SIDE CHAIN
REMARK 500 2 ARG P 6 0.10 SIDE CHAIN
REMARK 500 2 HIS P 20 0.09 SIDE CHAIN
REMARK 500 2 TYR P 26 0.07 SIDE CHAIN
REMARK 500 3 DC A 70 0.06 SIDE CHAIN
REMARK 500 3 DC A 72 0.12 SIDE CHAIN
REMARK 500 3 DA A 74 0.06 SIDE CHAIN
REMARK 500 3 DA A 75 0.08 SIDE CHAIN
REMARK 500 3 DT A 76 0.12 SIDE CHAIN
REMARK 500 3 DG A 81 0.10 SIDE CHAIN
REMARK 500 3 DC B 82 0.15 SIDE CHAIN
REMARK 500 3 DG B 86 0.07 SIDE CHAIN
REMARK 500 3 DT B 88 0.06 SIDE CHAIN
REMARK 500 3 DA B 90 0.07 SIDE CHAIN
REMARK 500 3 DG B 91 0.07 SIDE CHAIN
REMARK 500 3 DA B 92 0.11 SIDE CHAIN
REMARK 500 3 DG B 93 0.11 SIDE CHAIN
REMARK 500 3 ARG P 6 0.08 SIDE CHAIN
REMARK 500 3 ARG P 54 0.09 SIDE CHAIN
REMARK 500 4 DG A 69 0.08 SIDE CHAIN
REMARK 500 4 DC A 70 0.08 SIDE CHAIN
REMARK 500 4 DC A 72 0.07 SIDE CHAIN
REMARK 500 4 DA A 75 0.10 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 321 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
REMARK 500
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 500 I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI ANGLE
REMARK 500 1 GLY P 42 -11.33
REMARK 500 4 HIS P 20 -10.33
REMARK 500 4 VAL P 46 -10.88
REMARK 500 9 ARG P 55 -10.13
REMARK 500 11 THR P 7 -10.07
REMARK 500 12 ARG P 3 12.28
REMARK 500 13 PHE P 9 -10.62
REMARK 500 13 SER P 11 -10.41
REMARK 500 15 ILE P 14 -12.41
REMARK 500 16 LYS P 38 -10.90
REMARK 500 16 GLN P 60 -10.11
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1ZQ3 P 2 68 UNP Q9UAM0 BCD_DROME 97 163
DBREF 1ZQ3 A 69 81 PDB 1ZQ3 1ZQ3 69 81
DBREF 1ZQ3 B 82 94 PDB 1ZQ3 1ZQ3 82 94
SEQADV 1ZQ3 GLY P 1 UNP Q9UAM0 CLONING ARTIFACT
SEQRES 1 A 13 DG DC DT DC DT DA DA DT DC DC DC DC DG
SEQRES 1 B 13 DC DG DG DG DG DA DT DT DA DG DA DG DC
SEQRES 1 P 68 GLY PRO ARG ARG THR ARG THR THR PHE THR SER SER GLN
SEQRES 2 P 68 ILE ALA GLU LEU GLU GLN HIS PHE LEU GLN GLY ARG TYR
SEQRES 3 P 68 LEU THR ALA PRO ARG LEU ALA ASP LEU SER ALA LYS LEU
SEQRES 4 P 68 ALA LEU GLY THR ALA GLN VAL LYS ILE TRP PHE LYS ASN
SEQRES 5 P 68 ARG ARG ARG ARG HIS LYS ILE GLN SER ASP GLN HIS LYS
SEQRES 6 P 68 ASP GLN SER
HELIX 1 1 THR P 10 LEU P 22 1 13
HELIX 2 2 THR P 28 ALA P 40 1 13
HELIX 3 3 GLY P 42 GLN P 63 1 22
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