Header list of 1wj7.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-MAY-04 1WJ7 TITLE SOLUTION STRUCTURE OF RSGI RUH-015, A UBA DOMAIN FROM MOUSE CDNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN (RSGI RUH-015); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UBA DOMAIN; COMPND 5 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 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 6 EXPRESSION_SYSTEM_PLASMID: P030324-29; SOURCE 7 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS UBA DOMAIN, UBIQUITIN ASSOCIATED DOMAIN, STRUCTURAL GENOMICS, RIKEN KEYWDS 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR T.HAMADA,H.HIROTA,K.SAITO,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WJ7 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WJ7 1 VERSN REVDAT 1 27-SEP-05 1WJ7 0 JRNL AUTH T.HAMADA,H.HIROTA,K.SAITO,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-015, A UBA DOMAIN FROM MOUSE JRNL TITL 2 CDNA 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 1WJ7 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 08-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000023637. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100 MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.2MM UBA DOMAIN U-15N,13C; 20MM REMARK 210 TRIS-HCL BUFFER (PH 7.0); 100MM REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 90% REMARK 210 H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 21_2, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.8995, 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, STRUCTURES REMARK 210 WITH THE LOWEST ENERGY, TARGET REMARK 210 FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING 3D NMR TECHNIQUES 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 LEU A 46 HG1 THR A 50 1.48 REMARK 500 O ILE A 59 H ASP A 63 1.51 REMARK 500 O GLU A 56 H ALA A 60 1.51 REMARK 500 O ALA A 71 H LEU A 75 1.54 REMARK 500 O LEU A 27 H ILE A 31 1.56 REMARK 500 O GLU A 23 H LEU A 27 1.58 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 3 -50.65 -156.09 REMARK 500 1 SER A 5 94.95 51.37 REMARK 500 1 ASN A 8 -58.98 -137.65 REMARK 500 1 GLN A 9 129.02 -175.06 REMARK 500 1 GLN A 13 98.91 -65.50 REMARK 500 1 HIS A 14 -47.44 -167.51 REMARK 500 1 ARG A 17 149.23 63.19 REMARK 500 1 ALA A 20 38.05 -179.07 REMARK 500 1 THR A 21 -75.39 -139.16 REMARK 500 1 ILE A 49 -70.11 -69.14 REMARK 500 1 ASN A 65 -25.77 156.40 REMARK 500 1 GLU A 77 -92.97 -124.06 REMARK 500 1 ASP A 81 70.94 46.92 REMARK 500 1 GLU A 86 153.61 64.16 REMARK 500 1 MET A 87 148.34 60.69 REMARK 500 1 SER A 95 -65.22 -163.89 REMARK 500 1 SER A 99 145.05 83.97 REMARK 500 1 SER A 102 -64.78 -124.40 REMARK 500 2 SER A 3 111.55 58.85 REMARK 500 2 SER A 5 164.71 -45.49 REMARK 500 2 ASN A 10 154.75 67.43 REMARK 500 2 GLN A 11 -60.31 -105.83 REMARK 500 2 GLN A 13 131.59 66.57 REMARK 500 2 GLN A 16 169.50 59.05 REMARK 500 2 GLN A 19 70.12 62.43 REMARK 500 2 ALA A 20 -178.78 176.58 REMARK 500 2 THR A 21 -81.65 62.03 REMARK 500 2 CYS A 64 -70.32 -68.59 REMARK 500 2 ASN A 65 40.16 174.50 REMARK 500 2 ASP A 81 83.03 64.04 REMARK 500 2 TRP A 85 161.43 -47.40 REMARK 500 2 GLU A 86 74.02 46.96 REMARK 500 2 MET A 87 101.64 -171.35 REMARK 500 2 LYS A 90 132.05 -173.75 REMARK 500 2 LYS A 91 95.12 61.55 REMARK 500 2 VAL A 94 85.88 40.93 REMARK 500 2 SER A 95 87.32 -167.88 REMARK 500 2 GLN A 97 -59.28 -150.83 REMARK 500 2 LYS A 98 98.62 66.94 REMARK 500 2 SER A 99 -53.50 83.72 REMARK 500 3 SER A 3 -62.75 178.19 REMARK 500 3 SER A 5 104.50 -167.91 REMARK 500 3 GLN A 13 116.35 -179.95 REMARK 500 3 ALA A 20 158.99 -40.53 REMARK 500 3 THR A 21 -72.80 80.30 REMARK 500 3 THR A 50 -75.19 -82.23 REMARK 500 3 CYS A 64 -70.18 -66.61 REMARK 500 3 ASN A 65 41.53 169.65 REMARK 500 3 GLU A 77 63.02 37.44 REMARK 500 3 ASN A 79 133.43 62.58 REMARK 500 REMARK 500 THIS ENTRY HAS 396 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: MMT007009814.1 RELATED DB: TARGETDB DBREF 1WJ7 A 8 98 UNP Q9CRT6 Q9CRT6_MOUSE 19 109 SEQADV 1WJ7 GLY A 1 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 SER A 2 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 SER A 3 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 GLY A 4 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 SER A 5 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 SER A 6 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 GLY A 7 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 SER A 99 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 GLY A 100 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 PRO A 101 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 SER A 102 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 SER A 103 UNP Q9CRT6 CLONING ARTIFACT SEQADV 1WJ7 GLY A 104 UNP Q9CRT6 CLONING ARTIFACT SEQRES 1 A 104 GLY SER SER GLY SER SER GLY ASN GLN ASN GLN THR GLN SEQRES 2 A 104 HIS LYS GLN ARG PRO GLN ALA THR ALA GLU GLN ILE ARG SEQRES 3 A 104 LEU ALA GLN MET ILE SER ASP HIS ASN ASP ALA ASP PHE SEQRES 4 A 104 GLU GLU LYS VAL LYS GLN LEU ILE ASP ILE THR GLY LYS SEQRES 5 A 104 ASN GLN ASP GLU CYS VAL ILE ALA LEU HIS ASP CYS ASN SEQRES 6 A 104 GLY ASP VAL ASN ARG ALA ILE ASN VAL LEU LEU GLU GLY SEQRES 7 A 104 ASN PRO ASP THR HIS SER TRP GLU MET VAL GLY LYS LYS SEQRES 8 A 104 LYS GLY VAL SER GLY GLN LYS SER GLY PRO SER SER GLY HELIX 1 1 THR A 21 HIS A 34 1 14 HELIX 2 2 ASP A 36 THR A 50 1 15 HELIX 3 3 ASN A 53 ASN A 65 1 13 HELIX 4 4 ASP A 67 GLU A 77 1 11 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