Header list of 2com.pdb file
Complete list - r 9 2 Bytes
HEADER OXIDOREDUCTASE 18-MAY-05 2COM
TITLE THE SOLUTION STRUCTURE OF THE SWIRM DOMAIN OF HUMAN LSD1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SWIRM DOMAIN;
COMPND 5 SYNONYM: AMINE OXIDASE FLAVIN CONTAINING DOMAIN PROTEIN 2, AOF2
COMPND 6 PROTEIN, BRAF35-HDAC COMPLEX PROTEIN BHC110;
COMPND 7 EC: 1.-.-.-;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: LSD1;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040401-21;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS SWIRM DOMAIN, LSD1, AOF2, KIAA0601, HISTONE MODULATION, STRUCTURAL
KEYWDS 2 GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND
KEYWDS 3 FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 4 INITIATIVE, RSGI, OXIDOREDUCTASE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR N.TOCHIO,T.UMEHARA,S.KOSHIBA,M.INOUE,A.TANAKA,T.KIGAWA,S.YOKOYAMA,
AUTHOR 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 5 09-MAR-22 2COM 1 REMARK SEQADV
REVDAT 4 24-FEB-09 2COM 1 VERSN
REVDAT 3 18-APR-06 2COM 1 JRNL
REVDAT 2 10-JAN-06 2COM 1 JRNL TITLE
REVDAT 1 18-NOV-05 2COM 0
JRNL AUTH N.TOCHIO,T.UMEHARA,S.KOSHIBA,M.INOUE,T.YABUKI,M.AOKI,E.SEKI,
JRNL AUTH 2 S.WATANABE,Y.TOMO,M.HANADA,M.IKARI,M.SATO,T.TERADA,T.NAGASE,
JRNL AUTH 3 O.OHARA,M.SHIROUZU,A.TANAKA,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE SWIRM DOMAIN OF HUMAN HISTONE
JRNL TITL 2 DEMETHYLASE LSD1
JRNL REF STRUCTURE V. 14 457 2006
JRNL REFN ISSN 0969-2126
JRNL PMID 16531230
JRNL DOI 10.1016/J.STR.2005.12.004
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2COM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 20-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024454.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 296
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.2MM SWIRM DOMAIN U-15N,13C;
REMARK 210 20MM D-TRIS HCL; 100MM NACL; 1MM
REMARK 210 D-DTT; 0.02% NAN3; 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 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.8994, CYANA 2.0.17
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 : TARGET FUNCTION,STRUCTURES WITH
REMARK 210 THE LEAST RESTRAINT VIOLATIONS
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: 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 PRO A 10 -177.74 -69.71
REMARK 500 1 ARG A 21 78.16 -69.44
REMARK 500 1 SER A 40 35.47 -99.09
REMARK 500 1 GLN A 43 -36.25 -37.33
REMARK 500 1 ALA A 79 165.12 -47.37
REMARK 500 1 TYR A 94 -36.06 -38.46
REMARK 500 1 ILE A 105 -36.80 -132.46
REMARK 500 1 ILE A 109 112.75 -33.78
REMARK 500 1 LYS A 110 140.32 -171.41
REMARK 500 1 PRO A 113 94.97 -69.82
REMARK 500 1 LYS A 115 75.67 -60.86
REMARK 500 1 SER A 123 46.99 34.34
REMARK 500 2 GLU A 9 74.75 -115.40
REMARK 500 2 PRO A 10 4.38 -69.76
REMARK 500 2 ARG A 21 44.03 31.50
REMARK 500 2 SER A 40 33.28 -94.62
REMARK 500 2 ALA A 79 161.69 -44.83
REMARK 500 2 TYR A 94 -38.00 -39.54
REMARK 500 2 ILE A 105 -33.15 -39.18
REMARK 500 2 ARG A 108 151.99 -44.71
REMARK 500 2 SER A 119 95.21 -63.28
REMARK 500 3 SER A 3 108.66 -172.91
REMARK 500 3 PRO A 10 91.32 -69.80
REMARK 500 3 ALA A 17 -36.60 -33.90
REMARK 500 3 ARG A 21 41.20 -82.91
REMARK 500 3 ALA A 79 156.66 -41.33
REMARK 500 3 ILE A 105 -37.80 -33.54
REMARK 500 3 ILE A 109 111.40 -38.74
REMARK 500 3 PRO A 111 -173.82 -69.79
REMARK 500 3 PRO A 113 97.12 -69.76
REMARK 500 3 LYS A 115 43.64 34.25
REMARK 500 3 LYS A 116 46.91 -77.62
REMARK 500 4 ALA A 16 -34.24 -38.28
REMARK 500 4 GLN A 19 -35.51 -39.22
REMARK 500 4 ARG A 21 72.44 -69.76
REMARK 500 4 ALA A 79 163.80 -46.08
REMARK 500 4 TYR A 94 -37.47 -39.91
REMARK 500 4 ILE A 105 -33.38 -133.97
REMARK 500 4 ARG A 108 -55.53 -123.74
REMARK 500 4 PRO A 121 3.74 -69.74
REMARK 500 4 SER A 122 162.53 -41.87
REMARK 500 5 SER A 11 132.12 -170.45
REMARK 500 5 ALA A 17 -32.56 -35.49
REMARK 500 5 GLN A 30 -70.87 -59.59
REMARK 500 5 GLU A 31 -38.51 -37.77
REMARK 500 5 SER A 40 36.67 -95.27
REMARK 500 5 PRO A 64 4.46 -69.76
REMARK 500 5 ALA A 79 160.10 -43.77
REMARK 500 5 ILE A 105 -37.26 -134.11
REMARK 500 5 PRO A 111 -176.78 -69.78
REMARK 500
REMARK 500 THIS ENTRY HAS 206 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002000585.1 RELATED DB: TARGETDB
DBREF 2COM A 8 118 UNP O60341 LSD1_HUMAN 169 279
SEQADV 2COM GLY A 1 UNP O60341 CLONING ARTIFACT
SEQADV 2COM SER A 2 UNP O60341 CLONING ARTIFACT
SEQADV 2COM SER A 3 UNP O60341 CLONING ARTIFACT
SEQADV 2COM GLY A 4 UNP O60341 CLONING ARTIFACT
SEQADV 2COM SER A 5 UNP O60341 CLONING ARTIFACT
SEQADV 2COM SER A 6 UNP O60341 CLONING ARTIFACT
SEQADV 2COM GLY A 7 UNP O60341 CLONING ARTIFACT
SEQADV 2COM SER A 119 UNP O60341 CLONING ARTIFACT
SEQADV 2COM GLY A 120 UNP O60341 CLONING ARTIFACT
SEQADV 2COM PRO A 121 UNP O60341 CLONING ARTIFACT
SEQADV 2COM SER A 122 UNP O60341 CLONING ARTIFACT
SEQADV 2COM SER A 123 UNP O60341 CLONING ARTIFACT
SEQADV 2COM GLY A 124 UNP O60341 CLONING ARTIFACT
SEQRES 1 A 124 GLY SER SER GLY SER SER GLY GLU GLU PRO SER GLY VAL
SEQRES 2 A 124 GLU GLY ALA ALA PHE GLN SER ARG LEU PRO HIS ASP ARG
SEQRES 3 A 124 MET THR SER GLN GLU ALA ALA CYS PHE PRO ASP ILE ILE
SEQRES 4 A 124 SER GLY PRO GLN GLN THR GLN LYS VAL PHE LEU PHE ILE
SEQRES 5 A 124 ARG ASN ARG THR LEU GLN LEU TRP LEU ASP ASN PRO LYS
SEQRES 6 A 124 ILE GLN LEU THR PHE GLU ALA THR LEU GLN GLN LEU GLU
SEQRES 7 A 124 ALA PRO TYR ASN SER ASP THR VAL LEU VAL HIS ARG VAL
SEQRES 8 A 124 HIS SER TYR LEU GLU ARG HIS GLY LEU ILE ASN PHE GLY
SEQRES 9 A 124 ILE TYR LYS ARG ILE LYS PRO LEU PRO THR LYS LYS THR
SEQRES 10 A 124 GLY SER GLY PRO SER SER GLY
HELIX 1 1 GLY A 12 GLN A 19 1 8
HELIX 2 2 THR A 28 PHE A 35 1 8
HELIX 3 3 PHE A 35 SER A 40 1 6
HELIX 4 4 PRO A 42 ASN A 63 1 22
HELIX 5 5 THR A 69 LEU A 77 1 9
HELIX 6 6 ASP A 84 HIS A 98 1 15
CISPEP 1 ALA A 79 PRO A 80 1 -0.04
CISPEP 2 ALA A 79 PRO A 80 2 -0.02
CISPEP 3 ALA A 79 PRO A 80 3 0.06
CISPEP 4 ALA A 79 PRO A 80 4 -0.01
CISPEP 5 ALA A 79 PRO A 80 5 -0.01
CISPEP 6 ALA A 79 PRO A 80 6 0.02
CISPEP 7 ALA A 79 PRO A 80 7 -0.03
CISPEP 8 ALA A 79 PRO A 80 8 0.03
CISPEP 9 ALA A 79 PRO A 80 9 -0.01
CISPEP 10 ALA A 79 PRO A 80 10 0.01
CISPEP 11 ALA A 79 PRO A 80 11 0.03
CISPEP 12 ALA A 79 PRO A 80 12 0.05
CISPEP 13 ALA A 79 PRO A 80 13 0.05
CISPEP 14 ALA A 79 PRO A 80 14 0.02
CISPEP 15 ALA A 79 PRO A 80 15 -0.03
CISPEP 16 ALA A 79 PRO A 80 16 0.08
CISPEP 17 ALA A 79 PRO A 80 17 0.05
CISPEP 18 ALA A 79 PRO A 80 18 0.03
CISPEP 19 ALA A 79 PRO A 80 19 -0.05
CISPEP 20 ALA A 79 PRO A 80 20 0.04
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 9 2 Bytes