Header list of 1zda.pdb file
Complete list - r 2 2 Bytes
HEADER IGG BINDING DOMAIN 09-JUL-97 1ZDA
TITLE PHAGE-SELECTED MINI PROTEIN A DOMAIN, Z38, NMR, 24 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MINI PROTEIN A DOMAIN, Z38;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES;
COMPND 5 OTHER_DETAILS: MINIMIZED, TWO-HELIX, IGG-BINDING VARIANT OF PROTEIN A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
SOURCE 3 ORGANISM_TAXID: 32630
KEYWDS IGG BINDING DOMAIN, PROTEIN A MIMIC
EXPDTA SOLUTION NMR
NUMMDL 24
AUTHOR M.A.STAROVASNIK
REVDAT 3 02-MAR-22 1ZDA 1 REMARK
REVDAT 2 24-FEB-09 1ZDA 1 VERSN
REVDAT 1 17-SEP-97 1ZDA 0
JRNL AUTH M.A.STAROVASNIK,A.C.BRAISTED,J.A.WELLS
JRNL TITL STRUCTURAL MIMICRY OF A NATIVE PROTEIN BY A MINIMIZED
JRNL TITL 2 BINDING DOMAIN.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 94 10080 1997
JRNL REFN ISSN 0027-8424
JRNL PMID 9294166
JRNL DOI 10.1073/PNAS.94.19.10080
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : AMBER
REMARK 3 AUTHORS : BIOSYM
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1ZDA 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_1000177459.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 281
REMARK 210 PH : 5.1
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : IN H2O: NOESY; TOCSY; COSY; IN
REMARK 210 D2O: NOESY; COSY-35; 2Q
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AMX500
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DGII, DISCOVER
REMARK 210 METHOD USED : METRIX MATRIX DISTANCE GEOMETRY
REMARK 210 FOLLOWED BY RESTRAINED MOLECULAR
REMARK 210 DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 56
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 24
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST RESTRAINT VIOLATION
REMARK 210 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 SER A 5 71.43 -155.40
REMARK 500 1 PHE A 6 32.44 -75.69
REMARK 500 1 ASN A 7 -51.74 -130.30
REMARK 500 1 GLN A 11 -49.03 -151.08
REMARK 500 1 GLU A 26 -51.22 -171.62
REMARK 500 1 SER A 34 -48.63 -165.98
REMARK 500 2 SER A 5 75.40 -152.10
REMARK 500 2 ASN A 7 -90.96 -0.80
REMARK 500 3 GLN A 4 -79.30 -131.72
REMARK 500 3 SER A 5 65.64 -152.49
REMARK 500 3 ASN A 7 -87.34 -102.71
REMARK 500 3 GLN A 9 -61.15 -173.17
REMARK 500 3 GLN A 11 -58.86 -154.45
REMARK 500 4 HIS A 19 55.08 -96.67
REMARK 500 4 SER A 34 -46.32 -168.86
REMARK 500 5 GLN A 4 -62.15 70.15
REMARK 500 5 GLU A 26 -60.92 -147.17
REMARK 500 6 VAL A 2 70.25 58.52
REMARK 500 6 GLN A 11 -56.91 -163.54
REMARK 500 6 ARG A 12 -77.98 -72.39
REMARK 500 6 GLU A 26 -47.27 -148.20
REMARK 500 7 VAL A 2 49.12 -82.33
REMARK 500 7 ASN A 7 -40.71 -179.19
REMARK 500 7 GLU A 16 -50.33 -175.57
REMARK 500 7 LEU A 23 -126.95 -140.50
REMARK 500 7 ASN A 24 23.58 -155.07
REMARK 500 7 GLU A 25 -54.28 74.17
REMARK 500 8 MET A 8 -60.64 -143.91
REMARK 500 8 ASN A 22 84.61 -162.96
REMARK 500 8 ASP A 37 43.59 -85.67
REMARK 500 9 SER A 5 -98.71 -151.93
REMARK 500 9 GLU A 25 -55.98 71.46
REMARK 500 10 ALA A 3 -67.57 -152.02
REMARK 500 10 MET A 8 -52.75 -149.21
REMARK 500 10 GLU A 25 164.94 69.88
REMARK 500 10 GLU A 26 -64.01 71.80
REMARK 500 11 GLN A 4 57.96 -153.52
REMARK 500 11 GLN A 9 -57.90 177.55
REMARK 500 11 ASP A 20 78.02 -156.51
REMARK 500 11 ASN A 22 -30.90 -154.47
REMARK 500 11 GLU A 26 -52.59 -152.07
REMARK 500 12 ALA A 3 -68.26 -165.33
REMARK 500 12 ASN A 7 66.11 -61.84
REMARK 500 12 MET A 8 -45.88 -179.39
REMARK 500 12 GLU A 16 -55.93 -178.56
REMARK 500 12 ASN A 22 25.91 -157.53
REMARK 500 12 ASP A 37 72.39 -65.48
REMARK 500 13 VAL A 2 -158.27 -85.63
REMARK 500 13 GLN A 4 -65.82 -95.81
REMARK 500 13 SER A 5 -123.27 -100.31
REMARK 500
REMARK 500 THIS ENTRY HAS 109 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 5 PHE A 14 0.11 SIDE CHAIN
REMARK 500 13 PHE A 14 0.10 SIDE CHAIN
REMARK 500 15 PHE A 14 0.14 SIDE CHAIN
REMARK 500 22 PHE A 14 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1ZDB RELATED DB: PDB
DBREF 1ZDA A 1 38 PDB 1ZDA 1ZDA 1 38
SEQRES 1 A 38 ALA VAL ALA GLN SER PHE ASN MET GLN GLN GLN ARG ARG
SEQRES 2 A 38 PHE TYR GLU ALA LEU HIS ASP PRO ASN LEU ASN GLU GLU
SEQRES 3 A 38 GLN ARG ASN ALA LYS ILE LYS SER ILE ARG ASP ASP
HELIX 1 H1 MET A 8 LEU A 18 1 11
HELIX 2 H2 GLU A 25 ASP A 38 1 14
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 - r 2 2 Bytes