Header list of 1sis.pdb file
Complete list - 29 20 Bytes
HEADER TOXIN 11-NOV-93 1SIS TITLE SPATIAL STRUCTURE OF INSECTOTOXIN I5A BUTHUS EUPEUS BY 1H NUCLEAR TITLE 2 MAGNETIC RESONANCE SPECTROSCOPY (RUSSIAN) COMPND MOL_ID: 1; COMPND 2 MOLECULE: SCORPION INSECTOTOXIN I5A; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MESOBUTHUS EUPEUS; SOURCE 3 ORGANISM_COMMON: LESSER ASIAN SCORPION; SOURCE 4 ORGANISM_TAXID: 34648 KEYWDS TOXIN EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR A.S.ARSENIEV,V.I.KONDAKOV,A.L.LOMIZE,V.N.MAIOROV,V.F.BYSTROV REVDAT 4 29-NOV-17 1SIS 1 REMARK HELIX REVDAT 3 24-FEB-09 1SIS 1 VERSN REVDAT 2 01-APR-03 1SIS 1 JRNL REVDAT 1 30-APR-94 1SIS 0 JRNL AUTH A.L.LOMIZE,V.N.MAIOROV,A.S.ARSEN'EV JRNL TITL DETERMINATION OF THE SPATIAL STRUCTURE OF INSECTOTOXIN 15A JRNL TITL 2 FROM BUTHUS ERPEUS BY (1)H-NMR SPECTROSCOPY DATA JRNL REF BIOORG.KHIM. V. 17 1613 1991 JRNL REFN ISSN 0132-3423 JRNL PMID 1815511 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.L.LOMIZE,A.S.ARSENIEV,I.V.MASLENNIKOV,V.F.BYSTROV REMARK 1 TITL THE LOCAL STRUCTURE OF A PROTEIN INSECTOTOXIN I5A FROM REMARK 1 TITL 2 BUTHUS EUPEUS DETERMINED FROM 1H NMR DATA (RUSSIAN) REMARK 1 REF BIOORG.KHIM. V. 16 1310 1990 REMARK 1 REFN ISSN 0132-3423 REMARK 1 REFERENCE 2 REMARK 1 AUTH A.S.ARSENIEV,V.I.KONDAKOV,V.N.MAIOROV,V.F.BYSTROV REMARK 1 TITL NMR SOLUTION SPATIAL STRUCTURE OF 'SHORT' INSECTOTOXIN I5A REMARK 1 REF FEBS LETT. V. 165 57 1984 REMARK 1 REFN ISSN 0014-5793 REMARK 1 REFERENCE 3 REMARK 1 AUTH A.S.ARSENIEV,V.I.KONDAKOV,V.N.MAIOROV,V.F.BYSTROV, REMARK 1 AUTH 2 Y.A.OVCHINNIKOV REMARK 1 TITL NMR CONFORMATIONAL ANALYSIS OF THE SPATIAL STRUCTURE OF REMARK 1 TITL 2 INSECTOTOXIN I5A BUTHUS EUPEUS (RUSSIAN) REMARK 1 REF BIOORG.KHIM. V. 9 1667 1983 REMARK 1 REFN ISSN 0132-3423 REMARK 1 REFERENCE 4 REMARK 1 AUTH A.S.ARSENIEV,V.I.KONDAKOV,V.N.MAIOROV,T.V.VOLKOVA, REMARK 1 AUTH 2 E.V.GRISHIN,V.F.BYSTROV,Y.A.OVCHINNIKOV REMARK 1 TITL SECONDARY STRUCTURE AND SEQUENTIAL RESONANCE ASSIGNMENTS IN REMARK 1 TITL 2 TWO DIMENSIONAL PROTON MAGNETIC RESONANCE SPECTRA OF REMARK 1 TITL 3 INSECTOTOXIN I5A BUTHUS EUPEUS (RUSSIAN) REMARK 1 REF BIOORG.KHIM. V. 9 768 1983 REMARK 1 REFN ISSN 0132-3423 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DIANA REMARK 3 AUTHORS : GUNTERT,BRAUN,WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1SIS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000176388. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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: 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 1 MET A 3 -164.94 -167.74 REMARK 500 1 THR A 7 39.37 -73.19 REMARK 500 1 CYS A 20 24.47 -78.91 REMARK 500 2 MET A 3 -165.82 -167.46 REMARK 500 2 THR A 7 37.84 -72.24 REMARK 500 2 CYS A 20 32.79 -77.95 REMARK 500 3 MET A 3 -165.82 -167.46 REMARK 500 3 THR A 7 37.84 -72.24 REMARK 500 3 CYS A 20 32.79 -77.95 REMARK 500 4 THR A 7 41.46 -73.30 REMARK 500 4 CYS A 20 22.70 -78.58 REMARK 500 5 THR A 7 34.80 -71.70 REMARK 500 5 CYS A 20 32.81 -78.30 REMARK 500 5 PHE A 27 76.29 -118.21 REMARK 500 6 THR A 7 42.94 -72.80 REMARK 500 6 PRO A 10 6.16 -68.90 REMARK 500 6 PHE A 27 72.67 -112.71 REMARK 500 6 ASN A 34 47.87 -85.29 REMARK 500 7 THR A 7 45.26 -72.42 REMARK 500 7 PHE A 27 68.44 -113.51 REMARK 500 8 THR A 7 43.53 -73.40 REMARK 500 8 CYS A 20 24.11 -79.87 REMARK 500 8 PRO A 29 2.23 -68.96 REMARK 500 8 ASN A 34 48.49 -87.10 REMARK 500 9 MET A 3 -166.30 -166.76 REMARK 500 9 THR A 7 40.60 -73.42 REMARK 500 9 ASN A 23 54.15 -118.50 REMARK 500 9 PHE A 27 66.00 -116.45 REMARK 500 10 THR A 7 45.45 -73.87 REMARK 500 10 CYS A 20 35.17 -78.34 REMARK 500 10 ASN A 23 70.59 -119.77 REMARK 500 10 ASN A 34 49.50 -86.44 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 36 DBREF 1SIS A 1 35 UNP P15222 SCX5_BUTEU 1 35 SEQRES 1 A 36 MET CYS MET PRO CYS PHE THR THR ASP PRO ASN MET ALA SEQRES 2 A 36 LYS LYS CYS ARG ASP CYS CYS GLY GLY ASN GLY LYS CYS SEQRES 3 A 36 PHE GLY PRO GLN CYS LEU CYS ASN ARG NH2 HET NH2 A 36 3 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N HELIX 1 H1 PRO A 10 CYS A 20 13/10 TURN PRO 10 - MET 12 11 SHEET 1 S1 3 CYS A 2 CYS A 5 0 SHEET 2 S1 3 PRO A 29 CYS A 33 -1 O CYS A 31 N MET A 3 SHEET 3 S1 3 GLY A 24 GLY A 28 -1 N LYS A 25 O LEU A 32 SSBOND 1 CYS A 2 CYS A 19 1555 1555 2.02 SSBOND 2 CYS A 5 CYS A 26 1555 1555 2.02 SSBOND 3 CYS A 16 CYS A 31 1555 1555 2.02 SSBOND 4 CYS A 20 CYS A 33 1555 1555 2.02 LINK C ARG A 35 N NH2 A 36 1555 1555 1.33 SITE 1 AC1 1 ARG A 35 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 - 29 20 Bytes