Header list of 2d8i.pdb file
Complete list - r 9 2 Bytes
HEADER IMMUNE SYSTEM, SIGNALING PROTEIN 06-DEC-05 2D8I
TITLE SOLUTION STRUCTURE OF THE PDZ DOMAIN OF T-CELL LYMPHOMA INVASION AND
TITLE 2 METASTASIS 1 VARIAN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: T-CELL LYMPHOMA INVASION AND METASTASIS 1 VARIANT;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 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: T1AM-1;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050425-07;
SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN, T-CELL LYMPHOMA INVASION AND METASTASIS 1 VARIANT,
KEYWDS 2 STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL
KEYWDS 3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 4 INITIATIVE, RSGI, IMMUNE SYSTEM, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR X.R.QIN,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS
AUTHOR 2 INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2D8I 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2D8I 1 VERSN
REVDAT 1 06-JUN-06 2D8I 0
JRNL AUTH X.R.QIN,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE PDZ DOMAIN OF T-CELL LYMPHOMA
JRNL TITL 2 INVASION AND METASTASIS 1 VARIAN
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1C, CYANA 2.0.17
REMARK 3 AUTHORS : VARIAN (VNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2D8I COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-DEC-05.
REMARK 100 THE DEPOSITION ID IS D_1000025119.
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 : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.29MM 13C,15N-LABELED PROTEIN;
REMARK 210 20MM D-TRIS-HCL(PH7.0); 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3;
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 : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9296, 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 LOWEST ENERGY,STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 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 SER A 3 43.03 36.54
REMARK 500 1 SER A 6 55.23 -91.28
REMARK 500 1 PRO A 13 -178.58 -69.75
REMARK 500 1 ALA A 28 -59.74 -130.30
REMARK 500 1 ASP A 29 96.72 -68.21
REMARK 500 1 TYR A 31 162.34 -42.66
REMARK 500 1 LYS A 60 -71.85 -60.67
REMARK 500 1 ALA A 64 98.25 -60.61
REMARK 500 1 ASN A 73 37.52 71.27
REMARK 500 1 SER A 112 95.13 -49.16
REMARK 500 2 SER A 6 42.50 -96.72
REMARK 500 2 PRO A 13 -178.51 -69.76
REMARK 500 2 LYS A 14 171.15 -54.82
REMARK 500 2 ALA A 28 -70.97 -127.85
REMARK 500 2 TYR A 31 -176.83 -53.92
REMARK 500 2 THR A 54 63.90 -104.43
REMARK 500 2 ALA A 57 -72.53 -34.00
REMARK 500 2 ASP A 66 173.90 -46.74
REMARK 500 2 ASN A 73 34.36 72.94
REMARK 500 2 GLU A 108 29.90 39.64
REMARK 500 3 PRO A 13 -174.74 -69.74
REMARK 500 3 ASP A 25 55.04 74.89
REMARK 500 3 THR A 26 -30.71 -35.76
REMARK 500 3 ALA A 27 -39.88 -33.87
REMARK 500 3 ALA A 28 -64.82 -121.21
REMARK 500 3 TYR A 31 151.07 -43.72
REMARK 500 3 ALA A 57 -36.41 -33.52
REMARK 500 3 ALA A 64 90.61 -62.76
REMARK 500 3 ASN A 73 40.49 71.65
REMARK 500 3 LEU A 103 46.28 -85.87
REMARK 500 4 PRO A 13 -170.16 -69.75
REMARK 500 4 THR A 26 -73.45 -123.30
REMARK 500 4 TYR A 31 169.19 -44.53
REMARK 500 4 ALA A 57 -74.57 -36.48
REMARK 500 4 LEU A 62 160.57 -45.40
REMARK 500 4 LYS A 63 148.16 -171.76
REMARK 500 4 ALA A 64 104.54 -54.62
REMARK 500 5 SER A 3 43.38 -86.25
REMARK 500 5 SER A 5 97.50 -47.81
REMARK 500 5 ALA A 28 -61.37 -106.95
REMARK 500 5 TYR A 31 150.28 -37.54
REMARK 500 5 SER A 89 36.26 -91.15
REMARK 500 5 GLU A 104 40.35 -102.80
REMARK 500 5 VAL A 107 107.71 -53.56
REMARK 500 5 SER A 112 100.06 -58.72
REMARK 500 6 CYS A 12 136.68 -37.43
REMARK 500 6 PRO A 13 -164.34 -69.79
REMARK 500 6 LYS A 14 152.56 -38.12
REMARK 500 6 TYR A 31 -71.74 -34.43
REMARK 500 6 ASN A 73 31.02 72.67
REMARK 500
REMARK 500 THIS ENTRY HAS 176 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK003000753.1 RELATED DB: TARGETDB
DBREF 2D8I A 8 108 GB 62087782 BAD92338 664 764
SEQADV 2D8I GLY A 1 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I SER A 2 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I SER A 3 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I GLY A 4 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I SER A 5 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I SER A 6 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I GLY A 7 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I SER A 109 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I GLY A 110 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I PRO A 111 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I SER A 112 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I SER A 113 GB 62087782 CLONING ARTIFACT
SEQADV 2D8I GLY A 114 GB 62087782 CLONING ARTIFACT
SEQRES 1 A 114 GLY SER SER GLY SER SER GLY GLU ILE GLU ILE CYS PRO
SEQRES 2 A 114 LYS VAL THR GLN SER ILE HIS ILE GLU LYS SER ASP THR
SEQRES 3 A 114 ALA ALA ASP THR TYR GLY PHE SER LEU SER SER VAL GLU
SEQRES 4 A 114 GLU ASP GLY ILE ARG ARG LEU TYR VAL ASN SER VAL LYS
SEQRES 5 A 114 GLU THR GLY LEU ALA SER LYS LYS GLY LEU LYS ALA GLY
SEQRES 6 A 114 ASP GLU ILE LEU GLU ILE ASN ASN ARG ALA ALA ASP ALA
SEQRES 7 A 114 LEU ASN SER SER MET LEU LYS ASP PHE LEU SER GLN PRO
SEQRES 8 A 114 SER LEU GLY LEU LEU VAL ARG THR TYR PRO GLU LEU GLU
SEQRES 9 A 114 GLU GLY VAL GLU SER GLY PRO SER SER GLY
HELIX 1 1 LEU A 56 GLY A 61 1 6
HELIX 2 2 ALA A 75 LEU A 79 5 5
HELIX 3 3 ASN A 80 SER A 89 1 10
SHEET 1 A 3 VAL A 15 GLU A 22 0
SHEET 2 A 3 SER A 92 THR A 99 -1 O THR A 99 N VAL A 15
SHEET 3 A 3 ILE A 68 ILE A 71 -1 N LEU A 69 O LEU A 96
SHEET 1 B 2 SER A 34 GLU A 40 0
SHEET 2 B 2 ILE A 43 SER A 50 -1 O ARG A 45 N VAL A 38
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