Header list of 1ug1.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-JUN-03 1UG1
TITLE SH3 DOMAIN OF HYPOTHETICAL PROTEIN BAA76854.1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: KIAA1010 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SH3 DOMAIN;
COMPND 5 SYNONYM: HYPOTHETICAL PROTEIN BAA76854.1;
COMPND 6 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: KAZUSA CDNA HJ05262;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021015-49;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS STRUCTURAL GENOMICS, SH3 DOMAIN, HYPOTHETICAL PROTEIN BAA76854.1,
KEYWDS 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN
KEYWDS 3 FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.NAGATA,Y.MUTO,Y.KAMEWARI,M.SHIROUZU,T.TERADA,T.KIGAWA,M.INOUE,
AUTHOR 2 T.YABUKI,M.AOKI,E.SEKI,T.MATSUDA,H.HIROTA,M.YOSHIDA,N.KOBAYASHI,
AUTHOR 3 A.TANAKA,T.OSANAI,Y.MATSUO,O.OHARA,T.NAGASE,R.KIKUNO,M.NAKAYAMA,
AUTHOR 4 S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1UG1 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1UG1 1 VERSN
REVDAT 1 11-DEC-03 1UG1 0
JRNL AUTH T.NAGATA,Y.MUTO,Y.KAMEWARI,M.SHIROUZU,T.TERADA,T.KIGAWA,
JRNL AUTH 2 M.INOUE,T.YABUKI,M.AOKI,E.SEKI,T.MATSUDA,H.HIROTA,M.YOSHIDA,
JRNL AUTH 3 N.KOBAYASHI,A.TANAKA,T.OSANAI,Y.MATSUO,O.OHARA,T.NAGASE,
JRNL AUTH 4 R.KIKUNO,M.NAKAYAMA,S.YOKOYAMA
JRNL TITL NMR STRUCTURE OF SH3 DOMAIN OF HYPOTHETICAL PROTEIN
JRNL TITL 2 BAA76854.1
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRVIEW 5.0.4, CYANA 1.0
REMARK 3 AUTHORS : JOHNSON (NMRVIEW), GUENTERT (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UG1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-JUN-03.
REMARK 100 THE DEPOSITION ID IS D_1000005788.
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 : 1.0MM PROTEIN U-15N, 13C; 20MM
REMARK 210 PHOSPHATE BUFFER NA; 100MM NACL;
REMARK 210 0.02% NAN3; 90% H2O, 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 : CYANA 1.0, NMRPIPE 1.8, KUJIRA
REMARK 210 0.816
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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 OD1 ASN A 61 H THR A 64 1.51
REMARK 500 O SER A 9 H ARG A 13 1.52
REMARK 500 O SER A 6 H LEU A 10 1.59
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 2 95.73 55.04
REMARK 500 1 VAL A 44 133.26 -39.64
REMARK 500 1 LYS A 47 38.18 -96.96
REMARK 500 1 MET A 51 -43.07 -164.13
REMARK 500 1 ASN A 61 35.40 -92.39
REMARK 500 1 VAL A 63 -51.54 -143.17
REMARK 500 1 ASN A 77 87.60 -158.96
REMARK 500 1 ARG A 80 79.98 77.17
REMARK 500 1 SER A 81 91.23 41.22
REMARK 500 1 HIS A 82 63.15 -174.73
REMARK 500 2 SER A 3 -61.92 -94.19
REMARK 500 2 ASN A 25 95.44 -66.38
REMARK 500 2 ASN A 61 42.89 -95.00
REMARK 500 2 VAL A 63 -48.06 -156.06
REMARK 500 2 THR A 64 -152.95 -151.19
REMARK 500 2 TYR A 76 179.34 -52.41
REMARK 500 2 ASN A 77 98.77 -164.24
REMARK 500 2 ARG A 79 86.01 56.51
REMARK 500 2 SER A 81 70.43 40.51
REMARK 500 2 HIS A 82 48.17 -164.18
REMARK 500 2 SER A 86 109.49 -169.34
REMARK 500 2 SER A 90 -59.25 -130.16
REMARK 500 3 SER A 2 91.29 -162.87
REMARK 500 3 ASN A 25 92.87 -62.17
REMARK 500 3 MET A 51 -62.49 -170.19
REMARK 500 3 ASN A 61 41.19 -93.44
REMARK 500 3 VAL A 63 -49.79 -146.20
REMARK 500 3 SER A 70 -29.97 -38.92
REMARK 500 3 TYR A 76 179.55 -57.88
REMARK 500 3 ASN A 77 92.56 -167.69
REMARK 500 3 ARG A 79 85.71 -69.76
REMARK 500 3 ARG A 80 -61.79 -168.20
REMARK 500 3 ASP A 84 -54.61 -144.71
REMARK 500 3 ALA A 85 174.56 61.18
REMARK 500 3 SER A 86 -58.87 -127.81
REMARK 500 3 SER A 87 82.31 39.89
REMARK 500 3 SER A 90 148.46 -171.42
REMARK 500 3 SER A 91 158.85 59.67
REMARK 500 4 SER A 2 103.40 58.58
REMARK 500 4 ASN A 25 95.94 -62.66
REMARK 500 4 LYS A 48 127.04 -172.52
REMARK 500 4 MET A 51 -57.28 -156.56
REMARK 500 4 SER A 53 80.14 -159.06
REMARK 500 4 VAL A 63 -48.89 -148.44
REMARK 500 4 THR A 64 -159.16 -151.38
REMARK 500 4 TYR A 76 179.50 -58.91
REMARK 500 4 ASN A 77 93.44 -169.21
REMARK 500 4 ARG A 79 -93.65 56.28
REMARK 500 4 SER A 81 105.77 172.96
REMARK 500 4 SER A 83 75.73 -171.81
REMARK 500
REMARK 500 THIS ENTRY HAS 233 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002000986.1 RELATED DB: TARGETDB
DBREF 1UG1 A 8 85 UNP Q6XZF7 DNMBP_HUMAN 1016 1093
SEQADV 1UG1 GLY A 1 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 SER A 2 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 SER A 3 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 GLY A 4 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 SER A 5 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 SER A 6 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 GLY A 7 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 SER A 86 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 SER A 87 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 GLY A 88 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 PRO A 89 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 SER A 90 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 SER A 91 UNP Q6XZF7 CLONING ARTIFACT
SEQADV 1UG1 GLY A 92 UNP Q6XZF7 CLONING ARTIFACT
SEQRES 1 A 92 GLY SER SER GLY SER SER GLY ALA SER LEU LEU ALA ARG
SEQRES 2 A 92 TYR PRO PRO GLU LYS LEU PHE GLN ALA GLU ARG ASN PHE
SEQRES 3 A 92 ASN ALA ALA GLN ASP LEU ASP VAL SER LEU LEU GLU GLY
SEQRES 4 A 92 ASP LEU VAL GLY VAL ILE LYS LYS LYS ASP PRO MET GLY
SEQRES 5 A 92 SER GLN ASN ARG TRP LEU ILE ASP ASN GLY VAL THR LYS
SEQRES 6 A 92 GLY PHE VAL TYR SER SER PHE LEU LYS PRO TYR ASN PRO
SEQRES 7 A 92 ARG ARG SER HIS SER ASP ALA SER SER GLY PRO SER SER
SEQRES 8 A 92 GLY
HELIX 1 1 SER A 2 TYR A 14 1 13
HELIX 2 2 PRO A 15 GLU A 17 5 3
SHEET 1 A 5 LYS A 65 TYR A 69 0
SHEET 2 A 5 ARG A 56 ASP A 60 -1 N TRP A 57 O VAL A 68
SHEET 3 A 5 LEU A 41 LYS A 46 -1 N LYS A 46 O LEU A 58
SHEET 4 A 5 LEU A 19 ALA A 22 -1 N PHE A 20 O VAL A 42
SHEET 5 A 5 LEU A 73 PRO A 75 -1 O LYS A 74 N GLN A 21
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