Header list of 1p0j.pdb file
Complete list - 10 20 Bytes
HEADER RIBOSOME 10-APR-03 1P0J
TITLE HP (2-20) SUBSTITUTION ASP TO TRP MODIFICATION IN SDS-D25 MICELLES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 19-MER PEPTIDE FROM 50S RIBOSOMAL PROTEIN L1;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: RIBOSOMAL PROTEIN L1;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 FOR THIS PEPTIDE WHICH N-TERMINUS OF HELICOBACTER PYLORI RIBOSOMAL
SOURCE 5 PROTEIN L1
KEYWDS COIL-HELIX-COIL, RIBOSOME
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.H.LEE,D.G.LEE,Y.K.PARK,K.S.HARM,Y.M.KIM
REVDAT 3 10-NOV-21 1P0J 1 REMARK SEQADV LINK
REVDAT 2 24-FEB-09 1P0J 1 VERSN
REVDAT 1 20-MAY-03 1P0J 0
JRNL AUTH K.H.LEE,D.G.LEE,Y.K.PARK,K.S.HARM,Y.M.KIM
JRNL TITL INTERACTIONS BETWEEN ANTIMICROBIAL PEPTIDE, HP(2-20) DERIVED
JRNL TITL 2 FROM HELICOBACTER PYLORI, AND MEMBRAIN STUDIED BY NMR
JRNL TITL 3 SPECTROSCOPY
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : FELIX 95.0, CNS 1.1
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE
REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,
REMARK 3 SIMONSON,WARREN (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1P0J COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-APR-03.
REMARK 100 THE DEPOSITION ID IS D_1000018866.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 318
REMARK 210 PH : 6
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.5MM PEPTIDE; 150MM SDS-D25
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.5
REMARK 210 METHOD USED : HYBRID DISTANCE GEOMETRY
REMARK 210 -DYNAMICAL SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
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 : NULL
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 LYS A 3 38.99 -176.37
REMARK 500 3 LYS A 2 33.24 -98.58
REMARK 500 3 LYS A 3 38.56 -140.34
REMARK 500 5 LYS A 2 30.58 -98.67
REMARK 500 6 LYS A 2 33.48 -99.60
REMARK 500 8 LYS A 3 38.70 -172.00
REMARK 500 9 LYS A 2 38.79 -97.90
REMARK 500 9 LYS A 3 37.84 -99.06
REMARK 500 10 LYS A 3 35.91 -167.16
REMARK 500 12 LYS A 2 30.63 -98.56
REMARK 500 13 LYS A 2 31.80 -98.45
REMARK 500 13 LYS A 3 40.77 -104.35
REMARK 500 14 LYS A 2 37.83 -98.46
REMARK 500 15 LYS A 2 36.62 -98.16
REMARK 500 17 LYS A 2 31.34 -99.90
REMARK 500 17 LYS A 3 37.25 -156.00
REMARK 500 18 LYS A 2 36.14 -98.75
REMARK 500 18 LYS A 3 38.77 -99.84
REMARK 500 19 LYS A 2 31.27 -98.94
REMARK 500 19 LYS A 3 37.91 -166.10
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 20
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1P0G RELATED DB: PDB
REMARK 900 HP (2-20)
REMARK 900 RELATED ID: 1P0L RELATED DB: PDB
REMARK 900 HP (2-20) ANALOGUE 2
REMARK 900 RELATED ID: 1P0O RELATED DB: PDB
REMARK 900 HP (2-20) ANALOGUE 3
DBREF 1P0J A 1 19 UNP Q9ZK21 RL1_HELPJ 2 20
SEQADV 1P0J TRP A 18 UNP Q9ZK21 ASP 19 ENGINEERED MUTATION
SEQRES 1 A 20 ALA LYS LYS VAL PHE LYS ARG LEU GLU LYS LEU PHE SER
SEQRES 2 A 20 LYS ILE GLN ASN TRP LYS NH2
HET NH2 A 20 3
HETNAM NH2 AMINO GROUP
FORMUL 1 NH2 H2 N
HELIX 1 1 VAL A 4 LYS A 19 1 16
LINK C LYS A 19 N NH2 A 20 1555 1555 1.33
SITE 1 AC1 2 GLN A 16 LYS A 19
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 - 10 20 Bytes