HEADER SIGNALING PROTEIN 27-MAY-04 1WFV
TITLE SOLUTION STRUCTURE OF THE FIFTH PDZ DOMAIN OF HUMAN MEMBRANE
TITLE 2 ASSOCIATED GUANYLATE KINASE INVERTED-2 (KIAA0705 PROTEIN)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 SYNONYM: KIAA0705 PROTEIN, ATROPHIN-1 INTERACTING PROTEIN 1, MAGI-2;
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 HG03359;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021030-33;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS ATROPHIN-1 INTERACTING PROTEIN 1, ACTIVIN RECEPTOR INTERACTING
KEYWDS 2 PROTEIN 1, MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2, ACTIVIN
KEYWDS 3 TYPE IIA RECEPTOR, AIP1, ARIP1, ACVRIP1, ACTRIIA, MAGI-2, PDZ
KEYWDS 4 DOMAIN, STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 5 INITIATIVE, RSGI, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WFV 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WFV 1 VERSN
REVDAT 1 27-NOV-04 1WFV 0
JRNL AUTH N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE FIFTH PDZ DOMAIN OF HUMAN MEMBRANE
JRNL TITL 2 ASSOCIATED GUANYLATE KINASE INVERTED-2 (KIAA0705 PROTEIN)
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 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WFV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023534.
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 : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.3MM PDZ DOMAIN U-15N, 13C;
REMARK 210 20MM PHOSPHATE BUFFER NA; 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 10%
REMARK 210 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 0.8994, 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 : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, TARGET
REMARK 210 FUNCTION
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 PHE A 10 -177.80 -61.53
REMARK 500 1 SER A 68 120.63 -34.49
REMARK 500 1 ASP A 71 27.85 48.37
REMARK 500 1 HIS A 74 -34.22 -37.20
REMARK 500 2 ASP A 9 159.58 -43.50
REMARK 500 2 PHE A 24 37.52 -82.25
REMARK 500 2 ARG A 54 -29.20 -36.84
REMARK 500 2 THR A 69 -9.67 -59.08
REMARK 500 2 SER A 98 148.72 -174.65
REMARK 500 3 SER A 3 41.96 -95.77
REMARK 500 3 PHE A 10 43.67 -78.88
REMARK 500 3 ASP A 11 54.67 73.79
REMARK 500 3 TYR A 12 89.64 -47.93
REMARK 500 3 ARG A 54 -32.01 -37.61
REMARK 500 3 THR A 69 49.13 -96.20
REMARK 500 3 HIS A 74 -36.13 -34.44
REMARK 500 4 PHE A 10 -174.90 -63.02
REMARK 500 4 ARG A 54 -31.01 -37.46
REMARK 500 4 SER A 68 104.21 -57.63
REMARK 500 4 PRO A 100 0.51 -69.75
REMARK 500 5 SER A 6 76.54 -110.92
REMARK 500 5 ASP A 9 -175.46 -51.42
REMARK 500 5 PHE A 10 -175.89 -52.18
REMARK 500 5 TYR A 12 75.95 -107.47
REMARK 500 5 PHE A 24 39.40 -82.31
REMARK 500 5 ARG A 54 -32.66 -34.52
REMARK 500 5 THR A 69 51.85 -94.55
REMARK 500 6 ASP A 9 -175.40 -60.03
REMARK 500 6 ASP A 11 126.89 -38.53
REMARK 500 6 PHE A 24 40.67 -81.45
REMARK 500 6 ARG A 54 -29.54 -36.37
REMARK 500 6 SER A 98 42.36 -89.43
REMARK 500 7 SER A 2 41.40 -100.59
REMARK 500 7 ASP A 11 103.41 -42.36
REMARK 500 7 ARG A 54 -30.34 -36.48
REMARK 500 7 SER A 68 109.29 -38.09
REMARK 500 7 HIS A 74 -36.95 -38.51
REMARK 500 7 SER A 101 42.95 -81.89
REMARK 500 8 SER A 3 96.17 -54.35
REMARK 500 8 GLN A 8 34.90 -86.03
REMARK 500 8 ASP A 11 114.52 -172.75
REMARK 500 8 TYR A 12 75.48 -116.66
REMARK 500 8 ARG A 54 -29.75 -36.98
REMARK 500 8 HIS A 74 -37.40 -34.05
REMARK 500 8 SER A 98 128.98 -170.46
REMARK 500 8 PRO A 100 91.47 -69.75
REMARK 500 9 ASP A 11 104.95 -175.07
REMARK 500 9 PHE A 24 40.28 -81.78
REMARK 500 9 ARG A 54 -33.30 -33.76
REMARK 500 9 ASP A 59 173.84 -56.15
REMARK 500
REMARK 500 THIS ENTRY HAS 127 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002000688.1 RELATED DB: TARGETDB
DBREF 1WFV A 8 97 UNP Q86UL8 AIP1_HUMAN 1169 1258
SEQADV 1WFV GLY A 1 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV SER A 2 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV SER A 3 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV GLY A 4 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV SER A 5 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV SER A 6 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV GLY A 7 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV SER A 98 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV GLY A 99 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV PRO A 100 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV SER A 101 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV SER A 102 UNP Q86UL8 CLONING ARTIFACT
SEQADV 1WFV GLY A 103 UNP Q86UL8 CLONING ARTIFACT
SEQRES 1 A 103 GLY SER SER GLY SER SER GLY GLN ASP PHE ASP TYR PHE
SEQRES 2 A 103 THR VAL ASP MET GLU LYS GLY ALA LYS GLY PHE GLY PHE
SEQRES 3 A 103 SER ILE ARG GLY GLY ARG GLU TYR LYS MET ASP LEU TYR
SEQRES 4 A 103 VAL LEU ARG LEU ALA GLU ASP GLY PRO ALA ILE ARG ASN
SEQRES 5 A 103 GLY ARG MET ARG VAL GLY ASP GLN ILE ILE GLU ILE ASN
SEQRES 6 A 103 GLY GLU SER THR ARG ASP MET THR HIS ALA ARG ALA ILE
SEQRES 7 A 103 GLU LEU ILE LYS SER GLY GLY ARG ARG VAL ARG LEU LEU
SEQRES 8 A 103 LEU LYS ARG GLY THR GLY SER GLY PRO SER SER GLY
HELIX 1 1 GLY A 47 GLY A 53 1 7
HELIX 2 2 THR A 73 GLY A 85 1 13
SHEET 1 A 5 PHE A 13 THR A 14 0
SHEET 2 A 5 LEU A 90 LYS A 93 -1 O LEU A 92 N PHE A 13
SHEET 3 A 5 GLN A 60 ILE A 64 -1 N ILE A 62 O LEU A 91
SHEET 4 A 5 MET A 36 TYR A 39 -1 N LEU A 38 O ILE A 61
SHEET 5 A 5 ARG A 29 GLY A 31 -1 N ARG A 29 O TYR A 39
SHEET 1 B 4 PHE A 13 THR A 14 0
SHEET 2 B 4 LEU A 90 LYS A 93 -1 O LEU A 92 N PHE A 13
SHEET 3 B 4 GLN A 60 ILE A 64 -1 N ILE A 62 O LEU A 91
SHEET 4 B 4 GLU A 67 SER A 68 -1 O GLU A 67 N ILE A 64
SHEET 1 C 2 MET A 17 GLU A 18 0
SHEET 2 C 2 ARG A 87 VAL A 88 -1 O VAL A 88 N MET A 17
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
(ATOM LINES ARE NOT SHOWN.)
END
