Header list of 1kz5.pdb file
Complete list - 23 20 Bytes
HEADER DNA BINDING PROTEIN 06-FEB-02 1KZ5
TITLE SOLUTION STRUCTURE OF THE THIRD HELIX OF ANTENNAPEDIA HOMEODOMAIN
TITLE 2 DERIVATIVES (RQIKIWFRKWKK)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ANTENNAPEDIA PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 MUTATION: YES;
COMPND 6 OTHER_DETAILS: 4 RESIDUE DELETION
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHETIZED IN SOLID-PHASE USING
SOURCE 4 THE BOC-CHEMISTRY. THE SEQUENCE OF THIS PEPTIDE IS BASED ON A
SOURCE 5 SEQUENCE NATURALLY FOUND IN DROSOPHILA MELANOGASTER (FRUIT FLY).
KEYWDS IRREGULAR HELIX AND MULTIPLE TURN-LIKE STRUCTURE, FLEXIBILITY, DNA
KEYWDS 2 BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 16
AUTHOR A.CZAJLIK,E.MESKO,B.PENKE,A.PERCZEL
REVDAT 4 23-FEB-22 1KZ5 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1KZ5 1 VERSN
REVDAT 2 19-JUN-02 1KZ5 1 JRNL
REVDAT 1 20-FEB-02 1KZ5 0
JRNL AUTH A.CZAJLIK,E.MESKO,B.PENKE,A.PERCZEL
JRNL TITL INVESTIGATION OF PENETRATIN PEPTIDES. PART 1. THE
JRNL TITL 2 ENVIRONMENT DEPENDENT CONFORMATIONAL PROPERTIES OF
JRNL TITL 3 PENETRATIN AND TWO OF ITS DERIVATIVES.
JRNL REF J.PEPT.SCI. V. 8 151 2002
JRNL REFN ISSN 1075-2617
JRNL PMID 11991205
JRNL DOI 10.1002/PSC.380
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : FELIX 97.2, X-PLOR 3.851
REMARK 3 AUTHORS : SAN DIEGO, MSI (FELIX), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 THE STRUCTURES ARE BASED ON A TOTAL OF 291 NOE-DERIVED
REMARK 3 DISTANCE RESTRAINTS
REMARK 4
REMARK 4 1KZ5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-FEB-02.
REMARK 100 THE DEPOSITION ID IS D_1000015492.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 300
REMARK 210 PH : 3
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5MM PEPTIDE; 90% TFED2, 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 97.2, X-PLOR 3.851
REMARK 210 METHOD USED : SIMULATED ANNEALING AND
REMARK 210 MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 16
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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: 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: 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 ILE A 3 41.22 39.02
REMARK 500 1 LYS A 9 -70.62 -93.75
REMARK 500 1 TRP A 10 -112.26 -86.40
REMARK 500 1 LYS A 11 38.94 -159.10
REMARK 500 2 LYS A 9 -74.18 -96.13
REMARK 500 2 TRP A 10 -111.46 -85.34
REMARK 500 2 LYS A 11 37.95 -160.23
REMARK 500 3 LYS A 9 -75.75 -92.39
REMARK 500 3 TRP A 10 -111.93 -85.35
REMARK 500 3 LYS A 11 34.97 -159.25
REMARK 500 4 ILE A 3 39.58 39.48
REMARK 500 4 LYS A 9 -76.41 -107.99
REMARK 500 4 TRP A 10 -114.99 -90.92
REMARK 500 4 LYS A 11 36.29 -158.56
REMARK 500 5 GLN A 2 -54.53 -138.25
REMARK 500 5 ILE A 3 40.42 36.49
REMARK 500 5 LYS A 9 -77.97 -110.65
REMARK 500 5 TRP A 10 -111.58 -88.50
REMARK 500 5 LYS A 11 31.53 -166.24
REMARK 500 6 ILE A 3 45.44 36.91
REMARK 500 6 LYS A 9 -71.57 -94.94
REMARK 500 6 TRP A 10 -113.02 -88.34
REMARK 500 6 LYS A 11 38.90 -158.30
REMARK 500 7 ILE A 3 42.02 36.36
REMARK 500 7 LYS A 9 -64.88 -103.18
REMARK 500 7 TRP A 10 -81.47 -94.29
REMARK 500 7 LYS A 11 -45.44 -171.85
REMARK 500 8 ILE A 3 40.09 39.54
REMARK 500 8 TRP A 10 -114.29 -86.96
REMARK 500 8 LYS A 11 33.30 -169.07
REMARK 500 9 ILE A 3 36.26 39.09
REMARK 500 9 LYS A 9 -79.77 -119.66
REMARK 500 9 TRP A 10 -115.58 -93.79
REMARK 500 9 LYS A 11 31.82 -166.32
REMARK 500 10 ILE A 3 39.71 36.49
REMARK 500 10 TRP A 10 -114.58 -90.90
REMARK 500 10 LYS A 11 38.18 -157.94
REMARK 500 11 ILE A 3 39.73 39.59
REMARK 500 11 LYS A 9 -75.79 -110.24
REMARK 500 11 TRP A 10 -117.79 -93.23
REMARK 500 11 LYS A 11 45.97 -165.15
REMARK 500 12 ILE A 3 39.85 37.95
REMARK 500 12 TRP A 10 -115.88 -89.18
REMARK 500 12 LYS A 11 31.98 -169.14
REMARK 500 13 GLN A 2 -60.67 -125.34
REMARK 500 13 ILE A 3 44.45 37.09
REMARK 500 13 LYS A 9 -61.94 -99.06
REMARK 500 13 TRP A 10 -112.86 -86.66
REMARK 500 13 LYS A 11 36.97 -159.57
REMARK 500 14 TRP A 10 -115.29 -90.45
REMARK 500
REMARK 500 THIS ENTRY HAS 57 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 ARG A 1 0.25 SIDE CHAIN
REMARK 500 1 ARG A 8 0.30 SIDE CHAIN
REMARK 500 2 ARG A 1 0.22 SIDE CHAIN
REMARK 500 2 ARG A 8 0.21 SIDE CHAIN
REMARK 500 3 ARG A 1 0.22 SIDE CHAIN
REMARK 500 3 ARG A 8 0.32 SIDE CHAIN
REMARK 500 4 ARG A 1 0.18 SIDE CHAIN
REMARK 500 4 ARG A 8 0.31 SIDE CHAIN
REMARK 500 5 ARG A 1 0.31 SIDE CHAIN
REMARK 500 5 ARG A 8 0.21 SIDE CHAIN
REMARK 500 6 ARG A 1 0.17 SIDE CHAIN
REMARK 500 6 ARG A 8 0.29 SIDE CHAIN
REMARK 500 7 ARG A 1 0.28 SIDE CHAIN
REMARK 500 7 ARG A 8 0.31 SIDE CHAIN
REMARK 500 8 ARG A 1 0.31 SIDE CHAIN
REMARK 500 8 ARG A 8 0.32 SIDE CHAIN
REMARK 500 9 ARG A 1 0.25 SIDE CHAIN
REMARK 500 9 ARG A 8 0.21 SIDE CHAIN
REMARK 500 10 ARG A 1 0.24 SIDE CHAIN
REMARK 500 10 ARG A 8 0.23 SIDE CHAIN
REMARK 500 11 ARG A 1 0.22 SIDE CHAIN
REMARK 500 11 ARG A 8 0.28 SIDE CHAIN
REMARK 500 12 ARG A 1 0.30 SIDE CHAIN
REMARK 500 12 ARG A 8 0.31 SIDE CHAIN
REMARK 500 13 ARG A 1 0.21 SIDE CHAIN
REMARK 500 13 ARG A 8 0.21 SIDE CHAIN
REMARK 500 14 ARG A 1 0.20 SIDE CHAIN
REMARK 500 14 ARG A 8 0.27 SIDE CHAIN
REMARK 500 15 ARG A 1 0.29 SIDE CHAIN
REMARK 500 15 ARG A 8 0.28 SIDE CHAIN
REMARK 500 16 ARG A 1 0.23 SIDE CHAIN
REMARK 500 16 ARG A 8 0.22 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1HOM RELATED DB: PDB
REMARK 900 1HOM CONTAINS THE WHOLE ANTENNAPEDIA HOMEODOMAIN
REMARK 900 RELATED ID: 1KZO RELATED DB: PDB
REMARK 900 THIRD HELIX OF ANTENNAPEDIA HOMEODOMAIN
REMARK 900 RELATED ID: 1KZ2 RELATED DB: PDB
REMARK 900 THIRD HELIX[W6F,W14F] OF ANTENNAPEDIA HOMEODOMAIN
DBREF 1KZ5 A 1 12 UNP P02833 ANTP_DROME 50 65
SEQADV 1KZ5 A UNP P02833 GLN 57 DELETION
SEQADV 1KZ5 A UNP P02833 ASN 58 DELETION
SEQADV 1KZ5 A UNP P02833 ARG 60 DELETION
SEQADV 1KZ5 A UNP P02833 MET 61 DELETION
SEQRES 1 A 12 ARG GLN ILE LYS ILE TRP PHE ARG LYS TRP LYS LYS
HELIX 1 1 LYS A 4 TRP A 10 1 7
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 - 23 20 Bytes