Header list of 1v90.pdb file
Complete list - 2 20 Bytes
HEADER TOXIN 19-JAN-04 1V90
TITLE SOLUTION STRUCTURE BY NMR MEANS OF DELTA-PALUIT1-NH2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DELTA-PALUTOXIN IT1;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: DELTA-PALUIT1
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PARACOELOTES LUCTUOSUS;
SOURCE 3 ORGANISM_TAXID: 185217
KEYWDS INSECTICIDAL TOXIN, SPIDER TOXIN, ICK FOLD, 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 1V90 1 REMARK LINK
REVDAT 3 24-FEB-09 1V90 1 VERSN
REVDAT 2 05-APR-05 1V90 1 JRNL REMARK
REVDAT 1 29-MAR-05 1V90 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 1V90 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_1000006357.
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 : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY
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 CYS A 2 -167.95 -68.86
REMARK 500 1 LEU A 3 72.03 -116.26
REMARK 500 1 SER A 16 -41.89 -171.31
REMARK 500 1 CYS A 17 120.95 64.49
REMARK 500 1 CYS A 18 -177.73 -50.12
REMARK 500 1 PHE A 21 135.69 -173.43
REMARK 500 1 ARG A 26 -169.49 60.11
REMARK 500 1 CYS A 33 -165.98 -66.94
REMARK 500 1 ARG A 34 92.44 178.63
REMARK 500 2 GLU A 5 -48.20 -133.42
REMARK 500 2 SER A 16 -47.74 -171.00
REMARK 500 2 CYS A 17 137.51 63.17
REMARK 500 2 CYS A 18 -157.20 -55.40
REMARK 500 2 PHE A 21 127.02 -172.18
REMARK 500 2 ARG A 26 -164.47 58.16
REMARK 500 2 ARG A 32 144.31 -170.25
REMARK 500 2 CYS A 33 -162.28 -62.62
REMARK 500 2 ARG A 34 93.66 176.57
REMARK 500 3 CYS A 2 -167.90 -75.96
REMARK 500 3 GLU A 5 32.89 -99.75
REMARK 500 3 GLU A 7 -163.40 -73.19
REMARK 500 3 SER A 16 -42.25 -170.71
REMARK 500 3 CYS A 17 142.52 62.50
REMARK 500 3 CYS A 18 -157.10 -53.55
REMARK 500 3 PHE A 21 137.39 -172.50
REMARK 500 3 ARG A 26 -164.71 60.40
REMARK 500 3 ARG A 32 147.98 -170.10
REMARK 500 3 CYS A 33 -161.82 -59.69
REMARK 500 3 ARG A 34 96.24 176.57
REMARK 500 4 GLU A 5 -81.26 -73.08
REMARK 500 4 ALA A 10 160.55 179.52
REMARK 500 4 SER A 16 -45.55 -171.15
REMARK 500 4 CYS A 17 143.31 61.88
REMARK 500 4 CYS A 18 -170.29 -54.59
REMARK 500 4 ARG A 26 -171.00 59.81
REMARK 500 4 CYS A 33 -164.96 -65.09
REMARK 500 4 ARG A 34 91.19 174.77
REMARK 500 5 CYS A 2 -173.62 -69.81
REMARK 500 5 GLU A 5 -70.07 -121.10
REMARK 500 5 SER A 16 -38.89 -172.80
REMARK 500 5 CYS A 17 126.04 64.01
REMARK 500 5 CYS A 18 -169.51 -54.87
REMARK 500 5 PHE A 21 129.21 -171.70
REMARK 500 5 SER A 24 59.31 -105.45
REMARK 500 5 ARG A 26 179.15 59.12
REMARK 500 5 CYS A 33 -162.55 -66.43
REMARK 500 5 ARG A 34 100.11 -178.32
REMARK 500 6 CYS A 2 -159.71 -66.58
REMARK 500 6 GLU A 5 -55.32 -123.33
REMARK 500 6 SER A 16 -52.86 -170.19
REMARK 500
REMARK 500 THIS ENTRY HAS 186 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: 1V91 RELATED DB: PDB
REMARK 900 DELTA-PALUIT2-NH2
DBREF 1V90 A 1 37 UNP P83256 TXDP1_PARLU 1 37
SEQRES 1 A 38 GLY CYS LEU GLY GLU GLY GLU LYS CYS ALA ASP TRP SER
SEQRES 2 A 38 GLY PRO SER CYS CYS ASP GLY PHE 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
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