Header list of 1x45.pdb file
Complete list - r 2 2 Bytes
HEADER ENDOCYTOSIS/EXOCYTOSIS 13-MAY-05 1X45
TITLE SOLUTION STRUCTURE OF THE FIRST PDZ DOMAIN OF AMYLOID BETA A4
TITLE 2 PRECURSOR PROTEIN-BINDING FAMILY A, MEMBER 1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AMYLOID BETA (A4) PRECURSOR PROTEIN-BINDING, FAMILY A,
COMPND 3 MEMBER 1 (X11);
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: PDZ DOMAIN;
COMPND 6 SYNONYM: NEURON-SPECIFIC XII PROTEIN, NEURONAL MUNC18-1-INTERACTING
COMPND 7 PROTEIN 1, MINT-1, ADAPTER PROTEIN X11 ALPHA;
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: APBA1, MINT1, X11;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050118-02;
SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN, AMYLOID BETA A4 PRECURSOR PROTEIN-BINDING FAMILY A,
KEYWDS 2 MEMBER 1, NEURON-SPECIFIC XII PROTEIN, ADAPTER PROTEIN XII ALPHA,
KEYWDS 3 NEURONAL MUNC 18-1-INTERACTING PROTEIN 1 MINT-1, STRUCTURAL
KEYWDS 4 GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND
KEYWDS 5 FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 6 INITIATIVE, RSGI, ENDOCYTOSIS-EXOCYTOSIS COMPLEX
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR X.R.QIN,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS
AUTHOR 2 INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1X45 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1X45 1 VERSN
REVDAT 1 13-NOV-05 1X45 0
JRNL AUTH X.R.QIN,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE FIRST PDZ DOMAIN OF AMYLOID BETA
JRNL TITL 2 A4 PRECURSOR PROTEIN-BINDING FAMILY A, MEMBER 1
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 1X45 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024355.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.55MM 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 2 108.78 -39.84
REMARK 500 1 SER A 6 98.84 -42.97
REMARK 500 1 SER A 26 45.96 -78.27
REMARK 500 1 TRP A 28 96.27 -40.49
REMARK 500 1 PRO A 33 93.53 -69.74
REMARK 500 1 THR A 34 -75.60 -111.90
REMARK 500 1 VAL A 35 144.46 -175.61
REMARK 500 1 ILE A 54 106.90 -54.58
REMARK 500 1 SER A 85 -60.02 -95.23
REMARK 500 1 SER A 93 121.64 -38.75
REMARK 500 1 PRO A 95 88.43 -69.80
REMARK 500 2 SER A 5 49.81 -86.13
REMARK 500 2 SER A 26 31.84 -95.61
REMARK 500 2 TRP A 28 94.42 -63.30
REMARK 500 2 PRO A 33 90.32 -69.69
REMARK 500 2 THR A 34 -76.04 -110.97
REMARK 500 2 VAL A 35 140.29 -176.08
REMARK 500 2 HIS A 42 38.20 -82.65
REMARK 500 2 ILE A 54 105.38 -53.05
REMARK 500 2 VAL A 67 119.81 -39.29
REMARK 500 2 SER A 93 114.83 -36.64
REMARK 500 3 TRP A 28 -74.74 -121.18
REMARK 500 3 PRO A 33 87.28 -69.80
REMARK 500 3 THR A 34 -75.56 -104.50
REMARK 500 3 VAL A 35 140.96 -175.52
REMARK 500 3 HIS A 42 74.69 -67.06
REMARK 500 3 ILE A 54 106.67 -47.31
REMARK 500 3 SER A 93 115.18 -34.27
REMARK 500 4 SER A 26 37.50 -82.97
REMARK 500 4 TRP A 28 66.62 -110.47
REMARK 500 4 PRO A 33 86.37 -69.76
REMARK 500 4 THR A 34 -76.10 -105.91
REMARK 500 4 VAL A 35 142.39 -176.18
REMARK 500 4 HIS A 42 36.82 -89.13
REMARK 500 4 ILE A 54 107.38 -57.02
REMARK 500 4 VAL A 67 122.63 -37.54
REMARK 500 4 SER A 93 109.99 -38.92
REMARK 500 4 SER A 96 -51.67 -127.31
REMARK 500 5 SER A 26 30.43 -88.19
REMARK 500 5 SER A 30 -175.11 -60.96
REMARK 500 5 PRO A 33 84.47 -69.73
REMARK 500 5 THR A 34 -76.22 -104.56
REMARK 500 5 VAL A 35 142.78 -176.27
REMARK 500 5 MET A 41 151.85 -48.34
REMARK 500 5 ILE A 54 105.50 -49.32
REMARK 500 5 SER A 93 107.12 -40.22
REMARK 500 6 PRO A 33 87.47 -69.74
REMARK 500 6 THR A 34 -75.77 -107.23
REMARK 500 6 VAL A 35 141.54 -175.77
REMARK 500 6 HIS A 42 45.03 -84.24
REMARK 500
REMARK 500 THIS ENTRY HAS 167 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSO001000025.1 RELATED DB: TARGETDB
DBREF 1X45 A 8 92 UNP Q02410 APBA1_HUMAN 656 740
SEQADV 1X45 GLY A 1 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 SER A 2 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 SER A 3 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 GLY A 4 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 SER A 5 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 SER A 6 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 GLY A 7 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 SER A 93 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 GLY A 94 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 PRO A 95 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 SER A 96 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 SER A 97 UNP Q02410 CLONING ARTIFACT
SEQADV 1X45 GLY A 98 UNP Q02410 CLONING ARTIFACT
SEQRES 1 A 98 GLY SER SER GLY SER SER GLY ASP VAL PHE ILE GLU LYS
SEQRES 2 A 98 GLN LYS GLY GLU ILE LEU GLY VAL VAL ILE VAL GLU SER
SEQRES 3 A 98 GLY TRP GLY SER ILE LEU PRO THR VAL ILE ILE ALA ASN
SEQRES 4 A 98 MET MET HIS GLY GLY PRO ALA GLU LYS SER GLY LYS LEU
SEQRES 5 A 98 ASN ILE GLY ASP GLN ILE MET SER ILE ASN GLY THR SER
SEQRES 6 A 98 LEU VAL GLY LEU PRO LEU SER THR CYS GLN SER ILE ILE
SEQRES 7 A 98 LYS GLY LEU LYS ASN GLN SER ARG VAL LYS LEU ASN ILE
SEQRES 8 A 98 VAL SER GLY PRO SER SER GLY
HELIX 1 1 GLY A 44 GLY A 50 1 7
HELIX 2 2 PRO A 70 GLY A 80 1 11
SHEET 1 A 4 ASP A 8 GLU A 12 0
SHEET 2 A 4 ARG A 86 VAL A 92 -1 O LEU A 89 N VAL A 9
SHEET 3 A 4 GLN A 57 ILE A 61 -1 N GLN A 57 O VAL A 92
SHEET 4 A 4 THR A 64 SER A 65 -1 O THR A 64 N ILE A 61
SHEET 1 B 2 VAL A 21 VAL A 24 0
SHEET 2 B 2 ILE A 36 MET A 40 -1 O ASN A 39 N VAL A 22
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