Header list of 1vek.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAR-04 1VEK TITLE SOLUTION STRUCTURE OF RSGI RUH-011, A UBA DOMAIN FROM ARABIDOPSIS CDNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: UBIQUITIN-SPECIFIC PROTEASE 14, PUTATIVE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UBA DOMAIN; COMPND 5 SYNONYM: UBP14; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: THALE CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: ARABIDOPSIS THALIANA GENOMIC DNA, CHROMOSOME 3, TAC CLONE: SOURCE 6 K10D20; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: P030224-52; SOURCE 9 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS SYSTEM KEYWDS UBA DOMAIN, THREE HELIX BUNDLE, UBIQUITIN ASSOCIATED DOMAIN, KEYWDS 2 UBIQUITIN SPECIFIC PROTEASE 14, STRUCTURAL GENOMICS, RIKEN KEYWDS 3 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR Y.HIGUCHI,T.ABE,H.HIROTA,K.SAITO,S.KOSHIBA,T.KIGAWA,S.YOKOYAMA,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1VEK 1 REMARK SEQADV REVDAT 2 24-FEB-09 1VEK 1 VERSN REVDAT 1 30-SEP-04 1VEK 0 JRNL AUTH Y.HIGUCHI,T.ABE,H.HIROTA,K.SAITO,S.KOSHIBA,T.KIGAWA, JRNL AUTH 2 S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-011, A UBA DOMAIN FROM JRNL TITL 2 ARABIDOPSIS 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 1.0.8 REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1VEK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 05-APR-04. REMARK 100 THE DEPOSITION ID IS D_1000006530. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 100MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.2MM UBA DOMAIN U-15N, 13C; REMARK 210 20MM PINA; 100MM NACL; 1MM D-DTT; REMARK 210 0.02% NAN3; 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N 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 20031121, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.853 REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 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 : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 LYS A 48 H ASN A 52 1.43 REMARK 500 O ALA A 50 H ASN A 55 1.50 REMARK 500 O VAL A 33 H VAL A 37 1.52 REMARK 500 OD1 ASN A 29 H GLU A 31 1.54 REMARK 500 O ILE A 51 H SER A 54 1.54 REMARK 500 O SER A 42 H CYS A 46 1.58 REMARK 500 O THR A 53 H ALA A 56 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 5 113.62 -172.67 REMARK 500 1 SER A 6 122.26 179.17 REMARK 500 1 GLU A 10 155.86 58.76 REMARK 500 1 LEU A 11 150.59 60.87 REMARK 500 1 GLU A 18 143.95 61.20 REMARK 500 1 GLU A 19 102.10 59.62 REMARK 500 1 ALA A 24 75.41 -169.13 REMARK 500 1 ALA A 28 88.23 -62.89 REMARK 500 1 ALA A 49 -70.73 -39.28 REMARK 500 1 SER A 54 28.57 44.24 REMARK 500 1 ASP A 70 59.54 -106.82 REMARK 500 1 SER A 83 119.72 -175.64 REMARK 500 2 LEU A 12 99.86 -39.46 REMARK 500 2 ASP A 14 89.30 40.47 REMARK 500 2 GLU A 18 158.36 -40.23 REMARK 500 2 ALA A 24 88.24 -57.72 REMARK 500 2 ALA A 28 91.74 -52.53 REMARK 500 2 SER A 54 35.69 37.33 REMARK 500 2 ASP A 70 57.10 -102.71 REMARK 500 2 SER A 82 105.13 -43.03 REMARK 500 3 SER A 2 -58.59 -165.24 REMARK 500 3 SER A 3 169.35 59.91 REMARK 500 3 SER A 5 146.87 63.34 REMARK 500 3 GLU A 10 101.01 179.68 REMARK 500 3 LEU A 11 82.05 44.15 REMARK 500 3 ASP A 14 99.07 170.41 REMARK 500 3 GLU A 18 71.85 -68.60 REMARK 500 3 GLU A 19 86.06 -173.86 REMARK 500 3 SER A 23 146.16 -175.54 REMARK 500 3 ALA A 28 90.44 -55.12 REMARK 500 3 ALA A 49 -71.66 -40.13 REMARK 500 3 ASP A 70 54.75 -102.82 REMARK 500 4 SER A 2 143.00 -170.59 REMARK 500 4 GLU A 9 -39.65 -172.85 REMARK 500 4 GLU A 10 80.12 39.86 REMARK 500 4 LEU A 11 159.50 -48.71 REMARK 500 4 PRO A 13 -89.62 -75.00 REMARK 500 4 GLU A 18 121.39 60.63 REMARK 500 4 GLU A 19 99.15 -173.04 REMARK 500 4 VAL A 20 142.21 -174.34 REMARK 500 4 ALA A 24 82.96 56.30 REMARK 500 4 ALA A 28 91.33 -52.63 REMARK 500 4 ALA A 49 -71.58 -38.77 REMARK 500 4 SER A 54 32.32 39.87 REMARK 500 4 ASP A 70 57.14 -102.72 REMARK 500 4 SER A 79 78.04 -110.52 REMARK 500 4 SER A 83 -59.21 -157.67 REMARK 500 5 GLU A 9 105.84 -49.51 REMARK 500 5 LEU A 11 128.05 64.30 REMARK 500 5 GLU A 19 74.86 -179.49 REMARK 500 REMARK 500 THIS ENTRY HAS 251 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: ATR001010759.1 RELATED DB: TARGETDB DBREF 1VEK A 8 78 UNP Q8L6Y1 Q8L6Y1_ARATH 594 664 SEQADV 1VEK GLY A 1 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK SER A 2 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK SER A 3 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK GLY A 4 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK SER A 5 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK SER A 6 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK GLY A 7 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK SER A 79 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK GLY A 80 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK PRO A 81 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK SER A 82 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK SER A 83 UNP Q8L6Y1 CLONING ARTIFACT SEQADV 1VEK GLY A 84 UNP Q8L6Y1 CLONING ARTIFACT SEQRES 1 A 84 GLY SER SER GLY SER SER GLY GLY GLU GLU LEU LEU PRO SEQRES 2 A 84 ASP GLY VAL PRO GLU GLU VAL MET GLU SER ALA GLN PRO SEQRES 3 A 84 VAL ALA ASN GLU GLU ILE VAL ALA GLN LEU VAL SER MET SEQRES 4 A 84 GLY PHE SER GLN LEU HIS CYS GLN LYS ALA ALA ILE ASN SEQRES 5 A 84 THR SER ASN ALA GLY VAL GLU GLU ALA MET ASN TRP LEU SEQRES 6 A 84 LEU SER HIS MET ASP ASP PRO ASP ILE ASP ALA PRO ILE SEQRES 7 A 84 SER GLY PRO SER SER GLY HELIX 1 1 ASN A 29 GLY A 40 1 12 HELIX 2 2 SER A 42 THR A 53 1 12 HELIX 3 3 GLY A 57 MET A 69 1 13 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