PDB Short entry for 1COD
HEADER SHORT NEUROTOXIN 11-MAY-94 1COD 1CODA 1
COMPND COBROTOXIN (NMR, AVERAGE STRUCTURE) 1CODA 2
SOURCE TAIWAN COBRA VENOM (NAJA NAJA ATRA) 1COD 4
EXPDTA NMR 1COD 5
AUTHOR C.YU,R.BHASKARAN,C.C.YANG 1COD 6
REVDAT 2 20-JUL-95 1CODA 1 HEADER COMPND REMARK 1CODA 3
REVDAT 1 26-JAN-95 1COD 0 1COD 7
REMARK 1 1COD 8
REMARK 1 REFERENCE 1 1COD 9
REMARK 1 AUTH C.YU,R.BHASKARAN,L.C.CHUANG,C.C.YANG 1COD 10
REMARK 1 TITL SOLUTION CONFORMATION OF COBROTOXIN: A NUCLEAR 1COD 11
REMARK 1 TITL 2 MAGNETIC RESONANCE AND HYBRID DISTANCE 1COD 12
REMARK 1 TITL 3 GEOMETRY-DYNAMICAL SIMULATED ANNEALING STUDY 1COD 13
REMARK 1 REF BIOCHEMISTRY V. 32 2131 1993 1COD 14
REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 0033 1COD 15
REMARK 2 1COD 16
REMARK 2 RESOLUTION. NOT APPLICABLE. SEE REMARK 4. 1COD 17
REMARK 3 1COD 18
REMARK 3 REFINEMENT. 1COD 19
REMARK 3 PROGRAM 1 X-PLOR 1COD 20
REMARK 3 AUTHORS 1 BRUNGER 1COD 21
REMARK 3 PROGRAM 2 HYBRID METRIC MATRIX DISTANCE 1COD 22
REMARK 3 PROGRAM 2 GEOMETRY-DYNAMICAL SIMULATED 1COD 23
REMARK 3 PROGRAM 2 ANNEALING METHOD 1COD 24
REMARK 3 AUTHORS 2 NILGES,CLORE,GRONENBORN 1COD 25
REMARK 3 RMSD BOND DISTANCES 0.002 ANGSTROMS 1COD 26
REMARK 3 RMSD BOND ANGLES 0.53 DEGREES 1COD 27
REMARK 3 1COD 28
REMARK 3 THE AVERAGE STRUCTURE IS THE AVERAGE OVER 11 FILES 1COD 29
REMARK 3 1COD 30
REMARK 3 AVERAGE RMSD TO MEAN STRUCTURE (BACKBONE ATOMS) = 1COD 31
REMARK 3 1.24 ANGSTROMS 1COD 32
REMARK 3 AVERAGE RMSD TO MEAN STRUCTURE (NON-HYDROGENS) = 1COD 33
REMARK 3 2.00 ANGSTROMS 1COD 34
REMARK 4 1COD 35
REMARK 4 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION 1COD 36
REMARK 4 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT 1COD 37
REMARK 4 *CRYST1* AND *SCALE* RECORDS BE INCLUDED, BUT THE VALUES ON 1COD 38
REMARK 4 THESE RECORDS ARE MEANINGLESS. 1COD 39
REMARK 5 1COD 40
REMARK 5 THIS ENTRY CONTAINS THE SIMULATED ANNEALING AVERAGE 1COD 41
REMARK 5 STRUCTURE. THE QUANTITY PRESENTED IN COLUMNS 61 - 66 (B 1COD 42
REMARK 5 VALUE IN X-RAY ENTRIES) REPRESENTS THE ATOMIC RMS 1COD 43
REMARK 5 RMS DEVIATIONS OF 11 INDIVIDUAL STRUCTURES ABOUT THE MEAN 1COD 44
REMARK 5 STRUCTURE. THE COORDINATES OF 11 INDIVIDUAL STRUCTURES CAN 1COD 45
REMARK 5 BE FOUND IN PDB ENTRY 1COE. 1COD 46
REMARK 6 1COD 47
REMARK 6 STRAND 1 OF SHEET *S1* BELOW IS ANTIPARALLEL DOUBLE 1COD 48
REMARK 6 STRANDED. STRAND 1 OF SHEET *S2* BELOW IS ANTIPARALLEL 1COD 49
REMARK 6 TRIPLE STRANDED. 1COD 50
REMARK 7 1COD 51
REMARK 7 PDB ADVISORY NOTICE. 1COD 52
REMARK 7 NOTE THAT THE STRUCTURE PRESENTED IN THIS ENTRY CONTAINS 1COD 53
REMARK 7 SOME DISTANCES AND ANGLES THAT ARE UNUSUAL. BECAUSE OF 1COD 54
REMARK 7 THIS, IT WAS NOT POSSIBLE TO FOLLOW IUPAC/IUB 1COD 55
REMARK 7 SPECIFICATIONS IN ASSIGNING ATOM NAMES. 1COD 56
REMARK 8 1COD 57
REMARK 8 ORIGINAL DEPOSITION REVISED PRIOR TO RELEASE 1COD 58
REMARK 8 TRACKING NUMBER: T4778, DATE REVISED: 22-NOV-94 1COD 59
REMARK 9 1CODA 4
REMARK 9 CORRECTION. CORRECT HEADER AND COMPND RECORDS. DELETE 1CODA 5
REMARK 9 REMARK 36. RENUMBER SEQUENCE REMARK AS 999. 20-JUL-95. 1CODA 6
REMARK 999 1CODA 7
REMARK 999 CROSS REFERENCE TO SEQUENCE DATABASE 1CODA 8
REMARK 999 SWISS-PROT ENTRY NAME PDB ENTRY CHAIN NAME 1CODA 9
REMARK 999 NXS1_NAJAT 1CODA 10
SEQRES 1 62 LEU GLU CYS HIS ASN GLN GLN SER SER GLN THR PRO THR 1COD 131
SEQRES 2 62 THR THR GLY CYS SER GLY GLY GLU THR ASN CYS TYR LYS 1COD 132
SEQRES 3 62 LYS ARG TRP ARG ASP HIS ARG GLY TYR ARG THR GLU ARG 1COD 133
SEQRES 4 62 GLY CYS GLY CYS PRO SER VAL LYS ASN GLY ILE GLU ILE 1COD 134
SEQRES 5 62 ASN CYS CYS THR THR ASP ARG CYS ASN ASN 1COD 135
SHEET 1 S1 2 CYS 3 GLN 6 0 1COD 136
SHEET 2 S1 2 THR 13 GLY 16 -1 1COD 137
SHEET 1 S2 3 TYR 25 ARG 30 0 1COD 138
SHEET 2 S2 3 ARG 36 CYS 41 -1 1COD 139
SHEET 3 S2 3 GLU 51 THR 56 1 1COD 140
SSBOND 1 CYS 3 CYS 24 1COD 141
SSBOND 2 CYS 17 CYS 41 1COD 142
SSBOND 3 CYS 43 CYS 54 1COD 143
SSBOND 4 CYS 55 CYS 60 1COD 144
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 1COD 145
ORIGX1 1.000000 0.000000 0.000000 0.00000 1COD 146
ORIGX2 0.000000 1.000000 0.000000 0.00000 1COD 147
ORIGX3 0.000000 0.000000 1.000000 0.00000 1COD 148
SCALE1 1.000000 0.000000 0.000000 0.00000 1COD 149
SCALE2 0.000000 1.000000 0.000000 0.00000 1COD 150
SCALE3 0.000000 0.000000 1.000000 0.00000 1COD 151