Header list of 1zo0.pdb file
Complete list - r 2 2 Bytes
HEADER LYASE INHIBITOR 12-MAY-05 1ZO0
TITLE NMR STRUCTURE OF ANTIZYME ISOFORM 1 FROM RAT
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ORNITHINE DECARBOXYLASE ANTIZYME;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: ODC-AZ;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
SOURCE 3 ORGANISM_COMMON: NORWAY RAT;
SOURCE 4 ORGANISM_TAXID: 10116;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS ANTIZYME, ORNITHINE DECARBOXYLASE INHIBITOR, LYASE INHIBITOR
EXPDTA SOLUTION NMR
NUMMDL 12
AUTHOR D.W.HOFFMAN,M.L.HACKERT
REVDAT 3 02-MAR-22 1ZO0 1 REMARK
REVDAT 2 24-FEB-09 1ZO0 1 VERSN
REVDAT 1 19-JUL-05 1ZO0 0
JRNL AUTH D.W.HOFFMAN,M.L.HACKERT
JRNL TITL NMR STRUCTURE OF ANTIZYME ISOFORM 1 FROM RAT
JRNL REF TO BE PUBLISHED
JRNL REFN
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 1ZO0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 13-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000032940.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 295
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 200 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM ANTIZYME, 0.2 M SODIUM
REMARK 210 CHLORIDE, 20 MM PHOSPHATE BUFFER
REMARK 210 PH 7.0, 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 3D_13C-
REMARK 210 SEPARATED_ROESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 12
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 12
REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES
REMARK 210 SUBMITTED
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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 H ASP A 98 O LEU A 101 1.56
REMARK 500
REMARK 500 REMARK: NULL
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 ASP A 98 -147.28 -105.19
REMARK 500 1 GLU A 99 90.34 -65.44
REMARK 500 1 SER A 109 -177.62 62.23
REMARK 500 1 ASN A 110 36.63 -98.22
REMARK 500 1 ASP A 111 -178.15 -170.09
REMARK 500 1 LYS A 112 -179.94 60.69
REMARK 500 1 LEU A 122 51.26 -66.24
REMARK 500 1 ALA A 125 36.56 80.42
REMARK 500 1 ALA A 145 81.57 -174.30
REMARK 500 1 PRO A 147 94.07 -53.40
REMARK 500 1 ASP A 170 -51.17 -145.90
REMARK 500 1 HIS A 171 88.42 -54.64
REMARK 500 1 PRO A 177 -167.18 -65.52
REMARK 500 1 ASN A 179 -78.36 -61.69
REMARK 500 1 ARG A 180 111.63 -178.76
REMARK 500 1 GLU A 181 91.68 59.16
REMARK 500 1 ASP A 182 -46.00 -176.99
REMARK 500 1 ARG A 208 -53.70 176.52
REMARK 500 1 ASP A 210 69.20 64.60
REMARK 500 1 LEU A 218 94.84 -46.78
REMARK 500 2 LEU A 101 157.00 174.87
REMARK 500 2 PRO A 107 153.43 -49.17
REMARK 500 2 THR A 108 -44.86 -161.62
REMARK 500 2 ASN A 110 -75.12 -93.62
REMARK 500 2 LYS A 112 -72.23 -118.74
REMARK 500 2 LEU A 122 40.82 -66.75
REMARK 500 2 ALA A 125 47.38 76.65
REMARK 500 2 LEU A 143 74.92 -106.88
REMARK 500 2 ALA A 145 -69.53 -176.80
REMARK 500 2 LEU A 148 108.22 -54.51
REMARK 500 2 GLU A 150 -171.36 60.21
REMARK 500 2 GLN A 166 -76.03 -88.64
REMARK 500 2 ASP A 170 -84.04 -87.46
REMARK 500 2 HIS A 171 96.17 -45.05
REMARK 500 2 PRO A 177 -75.22 -89.13
REMARK 500 2 LYS A 178 102.73 178.14
REMARK 500 2 ASN A 179 -81.50 -84.55
REMARK 500 2 ARG A 180 -79.14 176.06
REMARK 500 2 LEU A 193 -70.52 -169.39
REMARK 500 3 GLU A 99 -84.49 63.35
REMARK 500 3 ARG A 100 30.43 -143.18
REMARK 500 3 SER A 109 -70.59 -178.84
REMARK 500 3 LEU A 122 -63.55 -177.82
REMARK 500 3 THR A 123 95.28 -25.34
REMARK 500 3 PRO A 144 -171.90 -54.01
REMARK 500 3 SER A 152 77.44 59.55
REMARK 500 3 GLN A 166 -62.11 -91.34
REMARK 500 3 ASP A 170 -78.60 -117.77
REMARK 500 3 HIS A 171 94.20 -42.71
REMARK 500 3 LYS A 178 101.10 65.26
REMARK 500
REMARK 500 THIS ENTRY HAS 245 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1ZO0 A 94 219 UNP P54370 OAZ1_RAT 93 218
SEQRES 1 A 126 ILE LEU TYR SER ASP GLU ARG LEU ASN VAL THR GLU GLU
SEQRES 2 A 126 PRO THR SER ASN ASP LYS THR ARG VAL LEU SER ILE GLN
SEQRES 3 A 126 CYS THR LEU THR GLU ALA LYS GLN VAL THR TRP ARG ALA
SEQRES 4 A 126 VAL TRP ASN GLY GLY GLY LEU TYR ILE GLU LEU PRO ALA
SEQRES 5 A 126 GLY PRO LEU PRO GLU GLY SER LYS ASP SER PHE ALA ALA
SEQRES 6 A 126 LEU LEU GLU PHE ALA GLU GLU GLN LEU ARG ALA ASP HIS
SEQRES 7 A 126 VAL PHE ILE CYS PHE PRO LYS ASN ARG GLU ASP ARG ALA
SEQRES 8 A 126 ALA LEU LEU ARG THR PHE SER PHE LEU GLY PHE GLU ILE
SEQRES 9 A 126 VAL ARG PRO GLY HIS PRO LEU VAL PRO LYS ARG PRO ASP
SEQRES 10 A 126 ALA CYS PHE MET VAL TYR THR LEU GLU
HELIX 1 1 LYS A 153 ARG A 168 1 16
HELIX 2 2 ASP A 182 SER A 191 1 10
SHEET 1 A 8 LEU A 95 SER A 97 0
SHEET 2 A 8 LEU A 101 GLU A 106 -1 O VAL A 103 N TYR A 96
SHEET 3 A 8 ARG A 114 CYS A 120 -1 O GLN A 119 N ASN A 102
SHEET 4 A 8 VAL A 128 ASN A 135 -1 O ALA A 132 N LEU A 116
SHEET 5 A 8 GLY A 138 GLU A 142 -1 O GLU A 142 N ARG A 131
SHEET 6 A 8 VAL A 172 PHE A 176 1 O PHE A 173 N LEU A 139
SHEET 7 A 8 CYS A 212 TYR A 216 -1 O CYS A 212 N PHE A 176
SHEET 8 A 8 GLU A 196 VAL A 198 -1 N VAL A 198 O PHE A 213
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