Header list of 1u38.pdb file
Complete list - r 2 2 Bytes
HEADER PROTEIN TRANSPORT 21-JUL-04 1U38
TITLE AUTO-INHIBITION MECHANISM OF X11S/MINTS FAMILY SCAFFOLD PROTEINS
TITLE 2 REVEALED BY THE CLOSED CONFORMATION OF THE TANDEM PDZ DOMAINS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AMYLOID BETA A4 PRECURSOR PROTEIN-BINDING, FAMILY A, MEMBER
COMPND 3 1;
COMPND 4 CHAIN: A;
COMPND 5 FRAGMENT: PDZ1 DOMAIN;
COMPND 6 SYNONYM: X11ALPHA/MINT1, PHOSPHOTYROSINE-BINDING/-INTERACTING DOMAIN
COMPND 7 (PTB)-BEARING PROTEIN, NEURONAL MUNC18-1-INTERACTING PROTEIN 1,
COMPND 8 NEURON-SPECIFIC X11 PROTEIN, ADAPTOR PROTEIN X11ALPHA;
COMPND 9 ENGINEERED: YES;
COMPND 10 MOL_ID: 2;
COMPND 11 MOLECULE: PVYI;
COMPND 12 CHAIN: B;
COMPND 13 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET32A;
SOURCE 9 MOL_ID: 2;
SOURCE 10 SYNTHETIC: YES;
SOURCE 11 OTHER_DETAILS: SYNTHETIC PEPTIDE
KEYWDS X11S/MINTS, PDZ DOMAIN, SCAFFOLD PROTEIN, PROTEIN TRAFFICKING,
KEYWDS 2 PROTEIN TRANSPORT
EXPDTA SOLUTION NMR
NUMMDL 20
MDLTYP MINIMIZED AVERAGE
AUTHOR W.FENG,J.-F.LONG,L.-N.CHAN,C.HE,A.FU,J.XIA,N.Y.IP,M.ZHANG
REVDAT 4 02-MAR-22 1U38 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1U38 1 VERSN
REVDAT 2 13-SEP-05 1U38 1 JRNL
REVDAT 1 26-JUL-05 1U38 0
JRNL AUTH J.-F.LONG,W.FENG,R.WANG,L.-N.CHAN,F.C.IP,J.XIA,N.Y.IP,
JRNL AUTH 2 M.ZHANG
JRNL TITL AUTOINHIBITION OF X11/MINT SCAFFOLD PROTEINS REVEALED BY THE
JRNL TITL 2 CLOSED CONFORMATION OF THE PDZ TANDEM
JRNL REF NAT.STRUCT.MOL.BIOL. V. 12 722 2005
JRNL REFN ISSN 1545-9993
JRNL PMID 16007100
JRNL DOI 10.1038/NSMB958
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1, CNS 1.1
REMARK 3 AUTHORS : BRUNGER, A.T. (CNS), BRUNGER, A.T. (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1U38 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 26-JUL-04.
REMARK 100 THE DEPOSITION ID IS D_1000023188.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 100MM POTASSIUM PHOSPHATE
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.0MM UNLABELLED PDZ1 IN COMPLEX
REMARK 210 WITH UNLABELLED C-PEPTIDE IN
REMARK 210 99.9% D2O; 100MM POTASSIUM
REMARK 210 PHOSPHATE; 1.0MM UNIFORMLY 15N
REMARK 210 LABELLED PDZ1 IN COMPLEX WITH
REMARK 210 UNLABELLED C-PEPTIDE IN 90% H2O,
REMARK 210 10% D2O; 100MM POTASSIUM
REMARK 210 PHOSPHATE; 1.0MM UNIFORMLY 15N/
REMARK 210 13C LABELLED PDZ1 IN COMPLEX
REMARK 210 WITH UNLABELLED C-PEPTIDE IN 90%
REMARK 210 H2O, 10% D2O; 100MM POTASSIUM
REMARK 210 PHOSPHATE; 1.0MM UNIFORMLY 15N/
REMARK 210 13C LABELLED PDZ1 IN COMPLEX
REMARK 210 WITH UNLABELLED C-PEPTIDE IN
REMARK 210 99.9% D2O; 100MM POTASSIUM
REMARK 210 PHOSPHATE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNCO, HNCACB,
REMARK 210 CBCA(CO)NH; 3D_13C-SEPARATED_
REMARK 210 NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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: DIMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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
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 ILE A 30 -78.33 14.11
REMARK 500 1 LEU A 31 -40.99 176.51
REMARK 500 1 TRP A 40 -164.17 -54.67
REMARK 500 1 SER A 42 48.03 81.79
REMARK 500 1 PRO A 45 84.45 -56.47
REMARK 500 1 THR A 46 -154.72 -135.24
REMARK 500 1 ILE A 49 90.41 -70.00
REMARK 500 1 HIS A 54 79.80 -62.46
REMARK 500 1 MET A 71 -63.24 -90.03
REMARK 500 1 THR A 76 99.31 -65.95
REMARK 500 1 VAL A 79 85.55 -57.98
REMARK 500 1 PRO A 82 -168.66 -67.81
REMARK 500 1 LEU A 93 48.19 -93.74
REMARK 500 1 VAL B -2 99.77 54.60
REMARK 500 2 ILE A 30 -81.03 14.11
REMARK 500 2 LEU A 31 -40.10 177.75
REMARK 500 2 TRP A 40 -162.04 -55.36
REMARK 500 2 SER A 42 49.25 80.68
REMARK 500 2 LEU A 44 87.87 -150.61
REMARK 500 2 PRO A 45 94.89 -42.66
REMARK 500 2 THR A 46 -92.87 -139.86
REMARK 500 2 ILE A 49 94.34 -68.50
REMARK 500 2 HIS A 54 74.14 -66.17
REMARK 500 2 VAL A 79 89.66 -56.72
REMARK 500 2 PRO A 82 -171.65 -66.80
REMARK 500 2 LEU A 93 51.83 -116.33
REMARK 500 2 ASN A 95 32.60 -97.75
REMARK 500 2 TYR B -1 167.13 62.78
REMARK 500 3 ILE A 30 -80.17 14.40
REMARK 500 3 LEU A 31 -49.42 174.43
REMARK 500 3 TRP A 40 -161.68 -55.63
REMARK 500 3 SER A 42 33.58 82.76
REMARK 500 3 PRO A 45 91.30 -56.11
REMARK 500 3 THR A 46 -91.68 -138.61
REMARK 500 3 ILE A 49 88.26 -69.16
REMARK 500 3 HIS A 54 85.54 -56.24
REMARK 500 3 SER A 61 -71.21 -46.45
REMARK 500 3 MET A 71 -69.12 -96.06
REMARK 500 3 VAL A 79 92.80 -59.98
REMARK 500 3 PRO A 82 -167.49 -69.16
REMARK 500 3 LEU A 93 46.16 -94.83
REMARK 500 4 ILE A 30 -82.05 19.17
REMARK 500 4 LEU A 31 -41.04 179.24
REMARK 500 4 TRP A 40 -163.08 -55.11
REMARK 500 4 SER A 42 51.70 80.00
REMARK 500 4 PRO A 45 90.70 -35.35
REMARK 500 4 THR A 46 -96.43 -136.41
REMARK 500 4 ILE A 49 90.20 -67.78
REMARK 500 4 VAL A 79 91.15 -53.23
REMARK 500 4 PRO A 82 -169.60 -66.37
REMARK 500
REMARK 500 THIS ENTRY HAS 247 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1U37 RELATED DB: PDB
REMARK 900 THE SAME PROTEIN, PDZ1 DOMAIN, 20 STRUCTURES
REMARK 900 RELATED ID: 1U39 RELATED DB: PDB
REMARK 900 THE SAME PROTEIN, PDZ2 DOMAIN, 20 STRUCTURES
REMARK 900 RELATED ID: 1U3B RELATED DB: PDB
REMARK 900 THE SAME PROTEIN, PDZ12C DOMAIN, MINIMIZED AVERAGE STRUCTURE
DBREF 1U38 A 19 105 UNP Q02410 APBA1_HUMAN 655 741
DBREF 1U38 B -3 0 GB 22035548 NP_001154 834 837
SEQADV 1U38 GLU A 17 UNP Q02410 CLONING ARTIFACT
SEQADV 1U38 PHE A 18 UNP Q02410 CLONING ARTIFACT
SEQRES 1 A 89 GLU PHE LYS ASP VAL PHE ILE GLU LYS GLN LYS GLY GLU
SEQRES 2 A 89 ILE LEU GLY VAL VAL ILE VAL GLU SER GLY TRP GLY SER
SEQRES 3 A 89 ILE LEU PRO THR VAL ILE ILE ALA ASN MET MET HIS GLY
SEQRES 4 A 89 GLY PRO ALA GLU LYS SER GLY LYS LEU ASN ILE GLY ASP
SEQRES 5 A 89 GLN ILE MET SER ILE ASN GLY THR SER LEU VAL GLY LEU
SEQRES 6 A 89 PRO LEU SER THR CYS GLN SER ILE ILE LYS GLY LEU LYS
SEQRES 7 A 89 ASN GLN SER ARG VAL LYS LEU ASN ILE VAL ARG
SEQRES 1 B 4 PRO VAL TYR ILE
HELIX 1 1 GLY A 56 GLY A 62 1 7
HELIX 2 2 PRO A 82 LEU A 93 1 12
SHEET 1 A 5 PHE A 18 GLU A 24 0
SHEET 2 A 5 ARG A 98 VAL A 104 -1 O ILE A 103 N LYS A 19
SHEET 3 A 5 GLN A 69 ILE A 73 -1 N GLN A 69 O VAL A 104
SHEET 4 A 5 VAL A 47 MET A 52 -1 N VAL A 47 O ILE A 70
SHEET 5 A 5 VAL A 33 GLU A 37 -1 N VAL A 34 O ASN A 51
SHEET 1 B 4 PHE A 18 GLU A 24 0
SHEET 2 B 4 ARG A 98 VAL A 104 -1 O ILE A 103 N LYS A 19
SHEET 3 B 4 GLN A 69 ILE A 73 -1 N GLN A 69 O VAL A 104
SHEET 4 B 4 THR A 76 SER A 77 -1 O THR A 76 N ILE A 73
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