Header list of 1v91.pdb file
Complete list - 2 20 Bytes
HEADER TOXIN 19-JAN-04 1V91 TITLE SOLUTION STRUCTURE OF INSECTIDAL TOXIN DELTA-PALUIT2-NH2 COMPND MOL_ID: 1; COMPND 2 MOLECULE: DELTA-PALUTOXIN IT2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: DELTA-PALUIT2 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PARACOELOTES LUCTUOSUS; SOURCE 3 ORGANISM_TAXID: 185217 KEYWDS NEUROTOXIN, IONIC CHANNEL INHIBITOR, AMIDATION, SODIUM CHANNEL KEYWDS 2 INHIBITOR, TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR G.FERRAT,F.BOSMANS,J.TYTGAT,C.PIMENTEL,B.CHAGOT,T.NAKAJIMA,H.DARBON, AUTHOR 2 G.CORZO REVDAT 4 02-MAR-22 1V91 1 REMARK LINK REVDAT 3 24-FEB-09 1V91 1 VERSN REVDAT 2 05-APR-05 1V91 1 JRNL REMARK REVDAT 1 29-MAR-05 1V91 0 JRNL AUTH G.FERRAT,F.BOSMANS,J.TYTGAT,C.PIMENTEL,B.CHAGOT,N.GILLES, JRNL AUTH 2 T.NAKAJIMA,H.DARBON,G.CORZO JRNL TITL SOLUTION STRUCTURE OF TWO INSECT-SPECIFIC SPIDER TOXINS AND JRNL TITL 2 THEIR PHARMACOLOGICAL INTERACTION WITH THE INSECT JRNL TITL 3 VOLTAGE-GATED NA(+) CHANNEL JRNL REF PROTEINS V. 59 368 2005 JRNL REFN ISSN 0887-3585 JRNL PMID 15726637 JRNL DOI 10.1002/PROT.20424 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : 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 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1V91 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 21-JAN-04. REMARK 100 THE DEPOSITION ID IS D_1000006358. 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 : 20 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 ALA A 10 149.77 -38.16 REMARK 500 1 SER A 11 -91.31 37.17 REMARK 500 1 SER A 13 71.26 -179.52 REMARK 500 1 CYS A 18 -176.36 -53.39 REMARK 500 1 CYS A 25 64.37 -150.17 REMARK 500 1 ARG A 26 -162.40 -61.49 REMARK 500 1 SER A 27 75.09 -63.14 REMARK 500 1 MET A 28 149.62 178.72 REMARK 500 1 ASN A 35 168.97 -45.95 REMARK 500 1 ASN A 36 -76.68 -69.61 REMARK 500 2 SER A 11 -90.83 36.74 REMARK 500 2 SER A 13 71.55 179.23 REMARK 500 2 CYS A 18 -176.64 -53.63 REMARK 500 2 ARG A 26 -170.05 -56.19 REMARK 500 2 SER A 27 78.87 -64.27 REMARK 500 2 MET A 28 141.59 179.01 REMARK 500 2 TYR A 30 89.91 -178.85 REMARK 500 2 ASN A 35 169.88 -46.41 REMARK 500 2 ASN A 36 -76.70 -69.61 REMARK 500 3 SER A 11 -92.09 37.75 REMARK 500 3 SER A 13 73.24 175.48 REMARK 500 3 CYS A 18 -176.58 -52.58 REMARK 500 3 CYS A 25 59.52 -149.41 REMARK 500 3 ARG A 26 -163.36 -59.35 REMARK 500 3 SER A 27 81.53 -61.32 REMARK 500 3 MET A 28 148.62 179.21 REMARK 500 3 ASN A 35 169.95 -46.14 REMARK 500 3 ASN A 36 -76.78 -69.59 REMARK 500 4 SER A 11 -89.56 34.99 REMARK 500 4 SER A 13 70.60 -178.25 REMARK 500 4 CYS A 18 -176.29 -58.53 REMARK 500 4 CYS A 25 69.90 -150.02 REMARK 500 4 SER A 27 81.60 48.97 REMARK 500 4 TYR A 30 93.83 -174.55 REMARK 500 4 ASN A 35 168.90 -45.85 REMARK 500 4 ASN A 36 -76.47 -69.70 REMARK 500 5 SER A 11 -90.44 33.93 REMARK 500 5 SER A 13 70.79 -178.58 REMARK 500 5 CYS A 18 -175.99 -53.89 REMARK 500 5 ARG A 26 -169.72 -58.10 REMARK 500 5 SER A 27 82.15 -63.23 REMARK 500 5 MET A 28 144.83 -179.52 REMARK 500 5 TYR A 30 97.20 176.55 REMARK 500 5 ASN A 35 170.15 -51.26 REMARK 500 5 ASN A 36 -77.00 -69.63 REMARK 500 6 SER A 11 -89.57 36.26 REMARK 500 6 SER A 13 70.47 179.63 REMARK 500 6 CYS A 18 -176.66 -52.60 REMARK 500 6 ARG A 26 -171.45 -58.15 REMARK 500 6 SER A 27 78.49 -64.85 REMARK 500 REMARK 500 THIS ENTRY HAS 182 RAMACHANDRAN OUTLIERS. 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 38 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1V90 RELATED DB: PDB REMARK 900 DELTA-PALUIT1-NH2 DBREF 1V91 A 1 37 UNP P83257 TXDP2_PARLU 1 37 SEQRES 1 A 38 ALA CYS VAL GLY ASP GLY GLN ARG CYS ALA SER TRP SER SEQRES 2 A 38 GLY PRO TYR CYS CYS ASP GLY TYR TYR CYS SER CYS ARG SEQRES 3 A 38 SER MET PRO TYR CYS ARG CYS ARG ASN ASN SER NH2 HET NH2 A 38 1 HETNAM NH2 AMINO GROUP FORMUL 1 NH2 H2 N SHEET 1 A 3 GLN A 7 ARG A 8 0 SHEET 2 A 3 ARG A 32 ARG A 34 -1 O CYS A 33 N GLN A 7 SHEET 3 A 3 TYR A 22 SER A 24 -1 N TYR A 22 O ARG A 34 SSBOND 1 CYS A 2 CYS A 18 1555 1555 2.03 SSBOND 2 CYS A 9 CYS A 23 1555 1555 2.03 SSBOND 3 CYS A 17 CYS A 33 1555 1555 2.03 SSBOND 4 CYS A 25 CYS A 31 1555 1555 2.03 LINK C SER A 37 N NH2 A 38 1555 1555 1.25 SITE 1 AC1 1 SER A 37 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 - 2 20 Bytes