Header list of 1aft.pdb file
Complete list - 29 20 Bytes
HEADER RIBONUCLEOTIDE REDUCTASE 13-MAR-97 1AFT
TITLE SMALL SUBUNIT C-TERMINAL INHIBITORY PEPTIDE OF MOUSE RIBONUCLEOTIDE
TITLE 2 REDUCTASE AS BOUND TO THE LARGE SUBUNIT, NMR, 26 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: C-TERMINAL RESIDUES AC-FTLDADF OF SMALL SUBUNIT;
COMPND 5 EC: 1.17.4.1;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1
KEYWDS RIBONUCLEOTIDE REDUCTASE, PEPTIDE INHIBITORS, TRANSFERRED NOESY,
KEYWDS 2 RESTRAINED MOLECULAR DYNAMICS, NONSTANDARD TYPE I TURN
EXPDTA SOLUTION NMR
NUMMDL 26
AUTHOR P.B.LAUB,A.L.FISHER,G.T.FURST,B.A.BARWIS,C.S.HAMANN,B.S.COOPERMAN
REVDAT 3 29-NOV-17 1AFT 1 REMARK HELIX
REVDAT 2 24-FEB-09 1AFT 1 VERSN
REVDAT 1 15-MAY-97 1AFT 0
JRNL AUTH A.FISHER,P.B.LAUB,B.S.COOPERMAN
JRNL TITL NMR STRUCTURE OF AN INHIBITORY R2 C-TERMINAL PEPTIDE BOUND
JRNL TITL 2 TO MOUSE RIBONUCLEOTIDE REDUCTASE R1 SUBUNIT.
JRNL REF NAT.STRUCT.BIOL. V. 2 951 1995
JRNL REFN ISSN 1072-8368
JRNL PMID 7583667
JRNL DOI 10.1038/NSB1195-951
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.0
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: SEE JRNL REFERENCE FOR REFINEMENT
REMARK 3 DETAILS. THE AUTHORS DID NOT MAKE OR ATTEMPT TO MAKE
REMARK 3 STEREOSPECIFIC ASSIGNMENTS.
REMARK 4
REMARK 4 1AFT 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_1000170762.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 287
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : TRNOESY; TOCSY; ROESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX500; DMX500; AMX600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XPLOR
REMARK 210 METHOD USED : SIMULATED ANNEALING IMPLEMENTED
REMARK 210 WITH RESTRAINED MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 299
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 26
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATIONS,
REMARK 210 POTENTIAL ENERGY
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 THR A 2 59.06 -116.61
REMARK 500 1 LEU A 3 44.73 -91.52
REMARK 500 1 ASP A 6 -54.74 122.49
REMARK 500 2 THR A 2 62.17 -114.48
REMARK 500 2 LEU A 3 39.37 -87.47
REMARK 500 2 ASP A 6 -31.39 122.10
REMARK 500 3 THR A 2 62.16 -114.68
REMARK 500 3 LEU A 3 40.11 -87.60
REMARK 500 3 ASP A 6 -31.68 123.64
REMARK 500 4 THR A 2 60.50 -115.66
REMARK 500 4 LEU A 3 42.25 -89.94
REMARK 500 4 ASP A 4 -44.05 -131.07
REMARK 500 4 ASP A 6 -34.08 123.86
REMARK 500 5 THR A 2 59.52 -115.48
REMARK 500 5 LEU A 3 42.36 -90.47
REMARK 500 5 ASP A 4 -43.87 -130.73
REMARK 500 5 ASP A 6 -33.67 122.81
REMARK 500 6 THR A 2 67.65 -117.52
REMARK 500 6 LEU A 3 40.19 -83.24
REMARK 500 6 ASP A 4 -46.06 -130.03
REMARK 500 6 ASP A 6 37.92 106.69
REMARK 500 7 THR A 2 59.26 -116.41
REMARK 500 7 LEU A 3 43.31 -91.49
REMARK 500 7 ASP A 6 -31.88 122.76
REMARK 500 8 THR A 2 61.38 -115.99
REMARK 500 8 LEU A 3 42.09 -89.56
REMARK 500 8 ASP A 4 -43.70 -130.89
REMARK 500 8 ASP A 6 -32.43 124.05
REMARK 500 9 THR A 2 62.47 -115.02
REMARK 500 9 LEU A 3 40.00 -87.35
REMARK 500 9 ASP A 6 -31.57 122.80
REMARK 500 10 THR A 2 63.08 -115.73
REMARK 500 10 LEU A 3 43.18 -88.39
REMARK 500 10 ASP A 4 -44.84 -130.38
REMARK 500 10 ASP A 6 -33.33 117.48
REMARK 500 11 THR A 2 52.45 -117.77
REMARK 500 11 LEU A 3 40.17 -93.86
REMARK 500 11 ASP A 6 -33.30 124.58
REMARK 500 12 THR A 2 58.31 -115.98
REMARK 500 12 LEU A 3 41.64 -90.23
REMARK 500 12 ASP A 4 -44.21 -131.65
REMARK 500 12 ASP A 6 -33.33 121.13
REMARK 500 13 THR A 2 60.44 -117.19
REMARK 500 13 LEU A 3 43.78 -83.11
REMARK 500 13 ASP A 4 -44.80 -133.71
REMARK 500 14 THR A 2 51.77 -118.05
REMARK 500 14 LEU A 3 38.15 -93.90
REMARK 500 14 ASP A 6 -32.84 122.64
REMARK 500 15 THR A 2 61.01 -115.41
REMARK 500 15 LEU A 3 41.58 -90.06
REMARK 500
REMARK 500 THIS ENTRY HAS 92 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1AFT A 1 7 UNP P11157 RIR2_MOUSE 384 390
SEQRES 1 A 8 ACE PHE THR LEU ASP ALA ASP PHE
HET ACE A 0 6
HETNAM ACE ACETYL GROUP
FORMUL 1 ACE C2 H4 O
LINK C ACE A 0 N PHE A 1 1555 1555 1.30
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