Header list of 1rik.pdb file
Complete list - r 2 2 Bytes
HEADER DE NOVO PROTEIN 17-NOV-03 1RIK
TITLE E6-BINDING ZINC FINGER (E6APC1)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: E6APC1 PEPTIDE;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED
KEYWDS E6-BINDING DOMAIN, ZINC FINGER, HUMAN PAPILLOMAVIRUS, HPV E6 PROTEIN,
KEYWDS 2 DE NOVO PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 50
AUTHOR Y.LIU,Z.LIU,E.ANDROPHY,J.CHEN,J.D.BALEJA
REVDAT 3 02-MAR-22 1RIK 1 REMARK
REVDAT 2 24-FEB-09 1RIK 1 VERSN
REVDAT 1 03-AUG-04 1RIK 0
JRNL AUTH Y.LIU,Z.LIU,E.ANDROPHY,J.CHEN,J.D.BALEJA
JRNL TITL DESIGN AND CHARACTERIZATION OF HELICAL PEPTIDES THAT INHIBIT
JRNL TITL 2 THE E6 PROTEIN OF PAPILLOMAVIRUS.
JRNL REF BIOCHEMISTRY V. 43 7421 2004
JRNL REFN ISSN 0006-2960
JRNL PMID 15182185
JRNL DOI 10.1021/BI049552A
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, CNS 1.1
REMARK 3 AUTHORS : BRUKER BIOSPIN GMBH (XWINNMR), BRUNGER, ET AL.
REMARK 3 (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1RIK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-NOV-03.
REMARK 100 THE DEPOSITION ID IS D_1000020774.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 10MM DEUTERATED IMIDAZOLE, 4MM
REMARK 210 ZNSO4, 1MM DEUTERATED DTT,
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.2 TO 3.0MM PEPTIDE, 10MM
REMARK 210 DEUTERATED IMIDAZOLE, 4MM ZNSO4,
REMARK 210 1MM DEUTERATED DTT, AT PH 6.0,
REMARK 210 90% H2O, 10% D2O; 1.2 TO 3.0MM
REMARK 210 PEPTIDE, 10MM DEUTERATED
REMARK 210 IMIDAZOLE, 4MM ZNSO4, 1MM
REMARK 210 DEUTERATED DTT, AT PH 6.0, 99.96%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY; 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AMX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 3.5, CNS 1.1
REMARK 210 METHOD USED : DYNAMICAL ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 50
REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES
REMARK 210 SUBMITTED
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 33
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES
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 2 PRO A 9 44.63 -91.19
REMARK 500 2 ASN A 27 67.71 -108.99
REMARK 500 3 LYS A 2 -61.83 -94.77
REMARK 500 3 PRO A 9 38.84 -91.50
REMARK 500 3 LYS A 28 75.47 -157.23
REMARK 500 4 PRO A 9 39.69 -90.80
REMARK 500 5 PRO A 9 39.50 -93.49
REMARK 500 5 ASN A 27 138.42 -177.90
REMARK 500 6 PRO A 9 38.82 -90.86
REMARK 500 7 PRO A 9 37.14 -90.60
REMARK 500 8 PRO A 9 38.22 -90.90
REMARK 500 9 PRO A 9 43.36 -91.16
REMARK 500 10 PRO A 9 38.35 -90.48
REMARK 500 11 PRO A 9 38.03 -90.90
REMARK 500 12 PRO A 9 38.70 -91.37
REMARK 500 13 PRO A 9 37.97 -89.95
REMARK 500 13 LYS A 28 61.56 -106.74
REMARK 500 14 PRO A 9 43.94 -91.70
REMARK 500 15 LYS A 2 -61.52 -95.14
REMARK 500 15 PRO A 9 42.89 -89.49
REMARK 500 16 PRO A 9 46.26 -90.98
REMARK 500 16 LYS A 28 -53.30 -123.01
REMARK 500 17 PRO A 9 41.39 -90.21
REMARK 500 18 PRO A 9 37.70 -90.86
REMARK 500 19 PRO A 9 42.49 -90.33
REMARK 500 20 PRO A 9 36.90 -88.95
REMARK 500 21 PRO A 9 39.72 -90.26
REMARK 500 22 PRO A 9 38.24 -90.60
REMARK 500 23 ALA A 4 122.09 -170.26
REMARK 500 23 PRO A 9 32.08 -91.07
REMARK 500 23 LYS A 28 40.61 -147.65
REMARK 500 25 PRO A 9 46.71 -92.20
REMARK 500 26 PRO A 9 45.12 -89.81
REMARK 500 27 PRO A 9 55.23 -93.05
REMARK 500 27 GLU A 26 39.67 -95.21
REMARK 500 27 ASN A 27 49.42 -164.40
REMARK 500 27 LYS A 28 89.82 -151.40
REMARK 500 28 PRO A 9 39.78 -90.15
REMARK 500 29 PRO A 9 46.45 -92.19
REMARK 500 30 PRO A 9 39.44 -89.77
REMARK 500 31 LYS A 2 -65.73 -95.17
REMARK 500 31 PRO A 9 38.11 -89.79
REMARK 500 32 PRO A 9 46.05 -92.79
REMARK 500 32 GLU A 26 -70.50 -56.58
REMARK 500 32 ASN A 27 137.10 -177.03
REMARK 500 33 PRO A 9 38.03 -90.13
REMARK 500 34 PRO A 9 42.59 -90.68
REMARK 500 34 GLU A 26 57.54 -91.87
REMARK 500 34 ASN A 27 93.95 -168.33
REMARK 500 35 PRO A 9 30.25 -89.51
REMARK 500
REMARK 500 THIS ENTRY HAS 69 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1RIJ RELATED DB: PDB
REMARK 900 RELATED ID: 1RIM RELATED DB: PDB
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 THE PEPTIDE WAS N-TERMINALLY ACETYLATED
REMARK 999 AND C-TERMINALLY AMIDATED, THE COORDINATES
REMARK 999 DO NOT REFLECT THESE MODIFICATIONS
DBREF 1RIK A 1 29 PDB 1RIK 1RIK 1 29
SEQRES 1 A 29 TYR LYS PHE ALA CYS PRO GLU CYS PRO LYS ARG PHE MET
SEQRES 2 A 29 ARG SER ASP HIS LEU THR LEU HIS ILE LEU LEU HIS GLU
SEQRES 3 A 29 ASN LYS LYS
HELIX 1 1 SER A 15 LEU A 23 1 9
HELIX 2 2 LEU A 24 ASN A 27 5 4
SHEET 1 A 2 PHE A 3 ALA A 4 0
SHEET 2 A 2 ARG A 11 PHE A 12 -1 O PHE A 12 N PHE A 3
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