Header list of 1p1d.pdb file
Complete list - b 23 2 Bytes
HEADER PROTEIN BINDING 12-APR-03 1P1D TITLE STRUCTURAL INSIGHTS INTO THE INTER-DOMAIN CHAPERONING OF TANDEM PDZ TITLE 2 DOMAINS IN GLUTAMATE RECEPTOR INTERACTING PROTEINS COMPND MOL_ID: 1; COMPND 2 MOLECULE: GLUTAMATE RECEPTOR INTERACTING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 18-213; COMPND 5 SYNONYM: PDZ45; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; 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 KEYWDS PDZ DOMAIN, GLUTAMATE RECEPTOR, TANDEM REPEATS, SCAFFOLD PROTEIN, KEYWDS 2 PROTEIN BINDING EXPDTA SOLUTION NMR NUMMDL 20 MDLTYP MINIMIZED AVERAGE AUTHOR W.FENG,Y.SHI,M.LI,M.ZHANG REVDAT 3 23-FEB-22 1P1D 1 REMARK REVDAT 2 24-FEB-09 1P1D 1 VERSN REVDAT 1 11-NOV-03 1P1D 0 JRNL AUTH W.FENG,Y.SHI,M.LI,M.ZHANG JRNL TITL TANDEM PDZ REPEATS IN GLUTAMATE RECEPTOR-INTERACTING JRNL TITL 2 PROTEINS HAVE A NOVEL MODE OF PDZ DOMAIN-MEDIATED TARGET JRNL TITL 3 BINDING JRNL REF NAT.STRUCT.BIOL. V. 10 972 2003 JRNL REFN ISSN 1072-8368 JRNL PMID 14555997 JRNL DOI 10.1038/NSB992 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,ADAMS,CLORE,DELANO,GROS,GROSSE REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON, REMARK 3 WARREN (CNS), BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE, REMARK 3 JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1P1D COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 16-APR-03. REMARK 100 THE DEPOSITION ID IS D_1000018893. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100MM POTASSIUM PHOSPHATE REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.5MM UNLABELLED PDZ45; 100MM REMARK 210 PHOSPHATE BUFFER; 1.5MM REMARK 210 UNIFORMLY 15N LABELLED PDZ45; REMARK 210 100MM PHOSPHATE BUFFER; 1.5MM REMARK 210 UNIFORMLY 15N/13C LABELLED PDZ45; REMARK 210 100MM PHOSPHATE BUFFER; 1.5MM REMARK 210 80% DEUTERATED, UNIFORMLY 13C-/ REMARK 210 15N-LABELED PDZ45; 100MM REMARK 210 PHOSPHATE BUFFER; 1.5MM 100% 2H, REMARK 210 15N-LABELED PDZ45; 100MM REMARK 210 PHOSPHATE BUFFER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_15N REMARK 210 -SEPARATED_NOESY; 3D_13C- REMARK 210 SEPARATED_NOESY; HNCO, HNCA, REMARK 210 HN(CO)CA, HN(CA)CB, AND HN(COCA) REMARK 210 CB REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 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 : 11 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: 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 O LEU A 185 H CYS A 188 1.60 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 44 104.01 58.81 REMARK 500 1 ALA A 47 88.65 40.61 REMARK 500 1 THR A 48 114.56 170.08 REMARK 500 1 GLU A 49 108.16 47.09 REMARK 500 1 THR A 50 -162.99 67.25 REMARK 500 1 LEU A 51 -72.89 -129.00 REMARK 500 1 SER A 53 58.76 -175.63 REMARK 500 1 TYR A 59 138.39 -178.02 REMARK 500 1 ILE A 60 -167.81 -102.07 REMARK 500 1 ASP A 63 39.55 91.73 REMARK 500 1 PRO A 65 -2.92 -58.61 REMARK 500 1 VAL A 71 84.17 -175.05 REMARK 500 1 THR A 86 -60.19 -150.76 REMARK 500 1 ASP A 88 43.90 -106.35 REMARK 500 1 SER A 89 -175.36 179.47 REMARK 500 1 SER A 101 45.27 -103.80 REMARK 500 1 SER A 102 16.82 -142.75 REMARK 500 1 ALA A 116 -147.37 -179.68 REMARK 500 1 SER A 118 84.46 -178.80 REMARK 500 1 ILE A 120 84.53 -157.24 REMARK 500 1 SER A 122 34.15 -178.49 REMARK 500 1 SER A 123 114.64 58.90 REMARK 500 1 HIS A 134 -78.58 -56.36 REMARK 500 1 SER A 135 74.70 -153.94 REMARK 500 1 SER A 146 132.17 -179.26 REMARK 500 1 SER A 147 59.14 -94.73 REMARK 500 1 ARG A 148 46.53 -146.58 REMARK 500 1 LYS A 149 145.63 -171.58 REMARK 500 1 ASP A 152 99.96 -46.48 REMARK 500 1 ASP A 158 153.39 177.71 REMARK 500 1 ALA A 165 -70.87 -47.71 REMARK 500 1 THR A 170 -44.33 -137.95 REMARK 500 1 LEU A 171 87.89 -59.51 REMARK 500 1 LEU A 178 -39.45 -139.56 REMARK 500 1 ASP A 181 -70.72 66.30 REMARK 500 1 ASN A 182 -20.78 -144.92 REMARK 500 1 CYS A 188 102.98 76.02 REMARK 500 1 SER A 189 95.71 168.58 REMARK 500 1 CYS A 200 45.99 -88.41 REMARK 500 1 GLU A 201 60.66 -68.12 REMARK 500 1 ASP A 202 -33.96 -169.27 REMARK 500 1 LEU A 203 105.02 -175.01 REMARK 500 1 ASP A 211 78.87 176.43 REMARK 500 1 GLU A 212 174.05 -53.68 REMARK 500 2 VAL A 34 -51.03 -129.82 REMARK 500 2 THR A 35 36.22 -156.81 REMARK 500 2 PHE A 37 71.69 63.55 REMARK 500 2 VAL A 45 -78.80 -46.38 REMARK 500 2 ALA A 47 93.17 38.22 REMARK 500 2 THR A 48 110.42 175.55 REMARK 500 REMARK 500 THIS ENTRY HAS 697 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1P1E RELATED DB: PDB REMARK 900 1P1E CONTAINS 101 RESIDUES PER 1 MODEL DBREF 1P1D A 18 213 UNP P97879 GRIP1_RAT 463 658 SEQRES 1 A 196 GLN VAL VAL HIS THR GLU THR THR GLU VAL VAL LEU THR SEQRES 2 A 196 ALA ASP PRO VAL THR GLY PHE GLY ILE GLN LEU GLN GLY SEQRES 3 A 196 SER VAL PHE ALA THR GLU THR LEU SER SER PRO PRO LEU SEQRES 4 A 196 ILE SER TYR ILE GLU ALA ASP SER PRO ALA GLU ARG CYS SEQRES 5 A 196 GLY VAL LEU GLN ILE GLY ASP ARG VAL MET ALA ILE ASN SEQRES 6 A 196 GLY ILE PRO THR GLU ASP SER THR PHE GLU GLU ALA ASN SEQRES 7 A 196 GLN LEU LEU ARG ASP SER SER ILE THR SER LYS VAL THR SEQRES 8 A 196 LEU GLU ILE GLU PHE ASP VAL ALA GLU SER VAL ILE PRO SEQRES 9 A 196 SER SER GLY THR PHE HIS VAL LYS LEU PRO LYS LYS HIS SEQRES 10 A 196 SER VAL GLU LEU GLY ILE THR ILE SER SER PRO SER SER SEQRES 11 A 196 ARG LYS PRO GLY ASP PRO LEU VAL ILE SER ASP ILE LYS SEQRES 12 A 196 LYS GLY SER VAL ALA HIS ARG THR GLY THR LEU GLU LEU SEQRES 13 A 196 GLY ASP LYS LEU LEU ALA ILE ASP ASN ILE ARG LEU ASP SEQRES 14 A 196 SER CYS SER MET GLU ASP ALA VAL GLN ILE LEU GLN GLN SEQRES 15 A 196 CYS GLU ASP LEU VAL LYS LEU LYS ILE ARG LYS ASP GLU SEQRES 16 A 196 ASP HELIX 1 1 SER A 64 CYS A 69 1 6 HELIX 2 2 THR A 90 ASP A 100 1 11 HELIX 3 3 SER A 163 THR A 168 1 6 HELIX 4 4 ASP A 186 CYS A 188 5 3 HELIX 5 5 SER A 189 CYS A 200 1 12 SHEET 1 A 3 GLU A 23 THR A 30 0 SHEET 2 A 3 LYS A 106 PHE A 113 -1 O VAL A 107 N LEU A 29 SHEET 3 A 3 VAL A 78 ILE A 81 -1 N ALA A 80 O GLU A 110 SHEET 1 B 2 GLN A 40 GLY A 43 0 SHEET 2 B 2 PRO A 55 TYR A 59 -1 O SER A 58 N GLN A 40 SHEET 1 C 4 PHE A 126 LEU A 130 0 SHEET 2 C 4 VAL A 204 ARG A 209 -1 O ILE A 208 N PHE A 126 SHEET 3 C 4 LYS A 176 ILE A 180 -1 N LYS A 176 O ARG A 209 SHEET 4 C 4 ILE A 183 ARG A 184 -1 O ILE A 183 N ILE A 180 SHEET 1 D 2 THR A 141 SER A 143 0 SHEET 2 D 2 VAL A 155 ASP A 158 -1 O SER A 157 N THR A 141 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 - b 23 2 Bytes