PDB 2CRT
HEADER CARDIOTOXIN 12-MAR-94 2CRT 2CRT 2
COMPND CARDIOTOXIN III (NMR, MINIMIZED AVERAGE STRUCTURE) 2CRT 3
SOURCE TAIWAN COBRA (NAJA NAJA ATRA) VENOM 2CRT 4
EXPDTA NMR 2CRT 5
AUTHOR R.BHASKARAN,C.C.HUANG,K.D.CHANG,C.YU 2CRT 6
REVDAT 1 01-NOV-94 2CRT 0 2CRT 7
JRNL AUTH R.BHASKARAN,C.C.HUANG,K.D.CHANG,C.YU 2CRT 8
JRNL TITL CARDIOTOXIN III FROM TAIWAN COBRA (NAJA NAJA ATRA) 2CRT 9
JRNL TITL 2 DETERMINATION OF STRUCTURE IN SOLUTION AND 2CRT 10
JRNL TITL 3 COMPARISON WITH SHORT NEUROTOXINS 2CRT 11
JRNL REF J.MOL.BIOL. V. 235 1291 1994 2CRT 12
JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 0070 2CRT 13
REMARK 1 2CRT 14
REMARK 2 2CRT 15
REMARK 2 RESOLUTION. NOT APPLICABLE. SEE REMARK 4. 2CRT 16
REMARK 3 2CRT 17
REMARK 3 REFINEMENT. 2CRT 18
REMARK 3 PROGRAM 1 HYBRID METRIC MATRIX DISTANCE 2CRT 19
REMARK 3 PROGRAM 1 GEOMETRY-DYNAMICAL SIMULATED 2CRT 20
REMARK 3 PROGRAM 1 ANNEALING METHOD 2CRT 21
REMARK 3 AUTHORS 1 NILGES,CLORE,GRONENBORN 2CRT 22
REMARK 3 PROGRAM 2 X-PLOR 2CRT 23
REMARK 3 AUTHORS 2 BRUNGER 2CRT 24
REMARK 3 RMSD BOND DISTANCES 0.002 ANGSTROMS 2CRT 25
REMARK 3 RMSD BOND ANGLES 0.73 DEGREES 2CRT 26
REMARK 3 AVE.RMSD TO MEAN STRUCTURE (NON-HYDROGENS) = 2CRT 27
REMARK 3 1.49 ANGSTROMS 2CRT 28
REMARK 3 AVE.RMSD TO MEAN STRUCTURE (BACKBONE ATOMS) = 2CRT 29
REMARK 3 0.81 ANGSTROMS 2CRT 30
REMARK 4 2CRT 31
REMARK 4 THESE COORDINATES WERE GENERATED FROM SOLUTION NMR DATA. 2CRT 32
REMARK 4 PROTEIN DATA BANK CONVENTIONS REQUIRE THAT *CRYST1* AND 2CRT 33
REMARK 4 *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON THESE 2CRT 34
REMARK 4 RECORDS ARE MEANINGLESS. 2CRT 35
REMARK 5 2CRT 36
REMARK 5 THIS ENTRY CONTAINS THE SIMULATED ANNEALING RESTRAINT 2CRT 37
REMARK 5 MINIMIZED AVERAGE STRUCTURE. THE LAST COLUMN (B ARRAY) 2CRT 38
REMARK 5 THE ATOMIC RMS DEVIATIONS OF THE 13 INDIVIDUAL STRUCTURES 2CRT 39
REMARK 5 ABOUT THE MEAN STRUCTURE. THE COORDINATES OF 13 INDIVIDUAL 2CRT 40
REMARK 5 STRUCTURES CAN BE FOUND IN PDB ENTRY 2CRS. 2CRT 41
REMARK 6 2CRT 42
REMARK 6 SHEET *S1* IN SHEET RECORDS BELOW IS DOUBLE-STRANDED, 2CRT 43
REMARK 6 ANTI-PARALLEL. SHEET *S2* IN SHEET RECORDS BELOW IS 2CRT 44
REMARK 6 TRIPLE-STRANDED, ANTI-PARALLEL. 2CRT 45
SEQRES 1 60 LEU LYS CYS ASN LYS LEU VAL PRO LEU PHE TYR LYS THR 2CRT 46
SEQRES 2 60 CYS PRO ALA GLY LYS ASN LEU CYS TYR LYS MET PHE MET 2CRT 47
SEQRES 3 60 VAL ALA THR PRO LYS VAL PRO VAL LYS ARG GLY CYS ILE 2CRT 48
SEQRES 4 60 ASP VAL CYS PRO LYS SER SER LEU LEU VAL LYS TYR VAL 2CRT 49
SEQRES 5 60 CYS CYS ASN THR ASP ARG CYS ASN 2CRT 50
SHEET 1 S1 2 LEU 1 LYS 5 0 2CRT 51
SHEET 2 S1 2 PHE 10 CYS 14 -1 2CRT 52
SHEET 1 S2 3 LEU 20 MET 26 0 2CRT 53
SHEET 2 S2 3 VAL 34 ILE 39 -1 2CRT 54
SHEET 3 S2 3 LYS 50 ASN 55 -1 2CRT 55
SSBOND 1 CYS 3 CYS 21 2CRT 56
SSBOND 2 CYS 14 CYS 38 2CRT 57
SSBOND 3 CYS 42 CYS 53 2CRT 58
SSBOND 4 CYS 54 CYS 59 2CRT 59
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 2CRT 60
ORIGX1 1.000000 0.000000 0.000000 0.00000 2CRT 61
ORIGX2 0.000000 1.000000 0.000000 0.00000 2CRT 62
ORIGX3 0.000000 0.000000 1.000000 0.00000 2CRT 63
SCALE1 1.000000 0.000000 0.000000 0.00000 2CRT 64
SCALE2 0.000000 1.000000 0.000000 0.00000 2CRT 65
SCALE3 0.000000 0.000000 1.000000 0.00000 2CRT 66
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