Header list of 1wgh.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAY-04 1WGH TITLE SOLUTION STRUCTURE OF MOUSE UBIQUITIN-LIKE 3 PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: UBIQUITIN-LIKE 3; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UBIQUITIN-LIKE FOLD; COMPND 5 SYNONYM: HCG-1 PROTEIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: RIKEN CDNA 1500017C14; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030414-75; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS UBIQUITIN-LIKE 3, HCG-1 PROTEIN, UBIQUITIN-LIKE FOLD, STRUCTURAL KEYWDS 2 GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, KEYWDS 3 UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR C.ZHAO,K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WGH 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WGH 1 VERSN REVDAT 1 28-NOV-04 1WGH 0 JRNL AUTH C.ZHAO,K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF MOUSE UBIQUITIN-LIKE 3 PROTEIN JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 1.0.7 REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WGH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000023554. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.0 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 120MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 20MM PINA (PH6.0); 100MM NACL; REMARK 210 1MM D-DTT; 0.02% NAN3; 90% H2O; REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.8996, CYANA 1.0.7 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS, TARGET REMARK 210 FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 O SER A 40 H LYS A 44 1.54 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 SER A 5 99.08 -163.74 REMARK 500 1 LEU A 23 -161.11 -120.70 REMARK 500 1 SER A 25 -63.20 74.59 REMARK 500 1 LYS A 27 109.29 56.34 REMARK 500 1 ILE A 42 -70.91 -63.03 REMARK 500 1 TRP A 50 152.35 62.83 REMARK 500 1 MET A 52 113.76 -179.27 REMARK 500 1 TRP A 54 117.75 -172.49 REMARK 500 1 GLU A 57 77.45 -174.04 REMARK 500 1 GLN A 58 52.37 179.88 REMARK 500 1 SER A 60 83.67 -172.84 REMARK 500 1 LYS A 84 45.21 32.00 REMARK 500 1 ARG A 98 121.77 -178.32 REMARK 500 1 THR A 100 -168.93 -123.08 REMARK 500 1 ASN A 105 116.95 -168.49 REMARK 500 1 SER A 114 84.73 -68.69 REMARK 500 2 SER A 2 -58.44 -158.71 REMARK 500 2 SER A 10 -61.47 -169.29 REMARK 500 2 TRP A 50 150.56 70.60 REMARK 500 2 MET A 52 93.45 -66.48 REMARK 500 2 ASP A 53 -48.06 -148.06 REMARK 500 2 GLU A 57 -65.95 -129.47 REMARK 500 2 GLN A 58 43.48 -174.87 REMARK 500 2 SER A 60 29.69 -147.30 REMARK 500 2 LEU A 80 -30.94 -39.74 REMARK 500 2 LYS A 84 44.18 31.66 REMARK 500 2 ARG A 98 137.65 172.17 REMARK 500 2 ASN A 105 95.94 59.91 REMARK 500 2 GLN A 109 77.96 60.48 REMARK 500 3 SER A 2 72.32 55.69 REMARK 500 3 SER A 6 122.73 -178.04 REMARK 500 3 SER A 9 89.97 179.91 REMARK 500 3 SER A 10 -63.17 -174.81 REMARK 500 3 LYS A 27 146.13 -39.97 REMARK 500 3 ILE A 42 -71.21 -58.51 REMARK 500 3 TRP A 50 162.73 162.01 REMARK 500 3 MET A 52 127.57 -38.23 REMARK 500 3 ASP A 53 81.44 166.60 REMARK 500 3 TRP A 54 -81.50 -126.56 REMARK 500 3 GLN A 58 38.42 -155.58 REMARK 500 3 VAL A 59 -51.62 -130.02 REMARK 500 3 LYS A 84 47.47 31.84 REMARK 500 3 THR A 100 -164.80 -113.98 REMARK 500 3 GLN A 107 109.62 -176.79 REMARK 500 3 SER A 114 168.94 61.21 REMARK 500 3 SER A 115 94.00 55.38 REMARK 500 4 SER A 2 90.92 -178.99 REMARK 500 4 SER A 6 128.08 -177.82 REMARK 500 4 SER A 9 101.93 -178.76 REMARK 500 4 LEU A 23 -75.17 -90.73 REMARK 500 REMARK 500 THIS ENTRY HAS 391 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 650 REMARK 650 HELIX REMARK 650 AUTHOR DETERMINATION METHOD: AUTHOR DETERMINED REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: MMT007020348.1 RELATED DB: TARGETDB DBREF 1WGH A 8 110 UNP Q9Z2M6 UBL3_MOUSE 1 103 SEQADV 1WGH GLY A 1 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH SER A 2 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH SER A 3 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH GLY A 4 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH SER A 5 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH SER A 6 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH GLY A 7 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH SER A 111 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH GLY A 112 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH PRO A 113 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH SER A 114 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH SER A 115 UNP Q9Z2M6 CLONING ARTIFACT SEQADV 1WGH GLY A 116 UNP Q9Z2M6 CLONING ARTIFACT SEQRES 1 A 116 GLY SER SER GLY SER SER GLY MET SER SER HIS VAL PRO SEQRES 2 A 116 ALA ASP MET ILE ASN LEU ARG LEU ILE LEU VAL SER GLY SEQRES 3 A 116 LYS THR LYS GLU PHE LEU PHE SER PRO ASN ASP SER ALA SEQRES 4 A 116 SER ASP ILE ALA LYS HIS VAL TYR ASP ASN TRP PRO MET SEQRES 5 A 116 ASP TRP GLU GLU GLU GLN VAL SER SER PRO ASN ILE LEU SEQRES 6 A 116 ARG LEU ILE TYR GLN GLY ARG PHE LEU HIS GLY ASN VAL SEQRES 7 A 116 THR LEU GLY ALA LEU LYS LEU PRO PHE GLY LYS THR THR SEQRES 8 A 116 VAL MET HIS LEU VAL ALA ARG GLU THR LEU PRO GLU PRO SEQRES 9 A 116 ASN SER GLN GLY GLN ARG SER GLY PRO SER SER GLY HELIX 1 1 ALA A 39 ASP A 48 1 10 SHEET 1 A 5 THR A 28 PHE A 33 0 SHEET 2 A 5 ILE A 17 ILE A 22 -1 N LEU A 19 O PHE A 31 SHEET 3 A 5 THR A 90 ALA A 97 1 O THR A 91 N ARG A 20 SHEET 4 A 5 LEU A 65 TYR A 69 -1 N ILE A 68 O HIS A 94 SHEET 5 A 5 ARG A 72 LEU A 74 -1 O ARG A 72 N TYR A 69 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