Header list of 1mk3.pdb file
Complete list - t 27 2 Bytes
HEADER APOPTOSIS 28-AUG-02 1MK3 TITLE SOLUTION STRUCTURE OF HUMAN BCL-W PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-W; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BCL-W; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: 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 BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PET-29B+ KEYWDS BCL-W PROTEIN, APOPTOTIS, APOPTOSIS EXPDTA SOLUTION NMR NUMMDL 10 AUTHOR A.Y.DENISOV,M.S.MADIRAJU,G.CHEN,A.KHADIR,P.BEAUPARLANT,G.ATTARDO, AUTHOR 2 G.C.SHORE,K.GEHRING REVDAT 3 27-OCT-21 1MK3 1 REMARK SEQADV REVDAT 2 24-FEB-09 1MK3 1 VERSN REVDAT 1 03-JUN-03 1MK3 0 JRNL AUTH A.Y.DENISOV,M.S.MADIRAJU,G.CHEN,A.KHADIR,P.BEAUPARLANT, JRNL AUTH 2 G.ATTARDO,G.C.SHORE,K.GEHRING JRNL TITL SOLUTION STRUCTURE OF HUMAN BCL-W: MODULATION OF LIGAND JRNL TITL 2 BINDING BY THE C-TERMINAL HELIX JRNL REF J.BIOL.CHEM. V. 278 21124 2003 JRNL REFN ISSN 0021-9258 JRNL PMID 12651847 JRNL DOI 10.1074/JBC.M301798200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS, CNS 1.1 REMARK 3 AUTHORS : BRUNGER (CNS), BRUNGER ET AL. (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: STRUCTURE REFINED BY USING STANDARD REMARK 3 PROTOCOL IN CNS WITH RESTRAINTS FROM NOE DISTANCES, BACKBONE REMARK 3 TORSION ANGLES, HYDROGEN BONDS AND RESIDUAL DIPOLAR COUPLINGS REMARK 4 REMARK 4 1MK3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-SEP-02. REMARK 100 THE DEPOSITION ID IS D_1000016971. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.3 REMARK 210 IONIC STRENGTH : 10 MM NACL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.4 MM BCL-W PROTEIN U-15N,13C, REMARK 210 20 MM PHOSPHATE BUFFER; 1.3 MM REMARK 210 BCL-W PROTEIN U-15N, 20 MM REMARK 210 PHOSPHATE BUFFER; 0.5 MM BCL-W REMARK 210 PROTEIN U-15N, 6 MG/ML PF1-PHAGE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCACB; CBCA(CO)HN; 13C,15N REMARK 210 -EDITED NOESY; HNCO; HNHA; IPAP- REMARK 210 HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : DRX; INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS,STRUCTURES REMARK 210 WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY 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 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 PRO A 7 176.07 -51.72 REMARK 500 1 PRO A 40 43.26 -70.47 REMARK 500 1 PHE A 56 -135.88 -86.68 REMARK 500 1 ARG A 57 -77.45 -139.57 REMARK 500 1 PHE A 60 -71.03 -65.03 REMARK 500 1 ALA A 64 -71.92 -65.57 REMARK 500 1 HIS A 68 -75.01 -59.21 REMARK 500 1 THR A 70 108.69 -50.90 REMARK 500 1 ALA A 74 -155.63 -72.72 REMARK 500 1 GLN A 87 81.92 -46.90 REMARK 500 1 PRO A 90 40.50 -71.82 REMARK 500 1 ALA A 97 -74.48 -75.50 REMARK 500 1 MET A 114 43.36 -100.48 REMARK 500 1 ARG A 160 -34.21 -39.19 REMARK 500 1 SER A 168 25.77 -70.88 REMARK 500 1 LEU A 171 -162.26 -122.97 REMARK 500 1 HIS A 173 -171.15 -63.73 REMARK 500 2 PRO A 3 109.65 -51.74 REMARK 500 2 PRO A 7 104.95 -51.72 REMARK 500 2 TYR A 26 -61.99 -145.53 REMARK 500 2 PRO A 36 107.41 -53.49 REMARK 500 2 PRO A 40 15.68 -68.58 REMARK 500 2 PHE A 56 -139.63 -91.28 REMARK 500 2 ARG A 57 -75.95 -140.47 REMARK 500 2 PHE A 60 -70.80 -56.86 REMARK 500 2 ASP A 62 -74.34 -55.30 REMARK 500 2 HIS A 68 -73.36 -52.21 REMARK 500 2 THR A 70 108.13 -54.71 REMARK 500 2 PRO A 71 102.16 -49.51 REMARK 500 2 ALA A 74 -154.17 -71.12 REMARK 500 2 GLN A 87 81.89 -47.06 REMARK 500 2 PRO A 90 39.10 -71.88 REMARK 500 2 PHE A 101 -71.99 -63.16 REMARK 500 2 LYS A 112 1.67 -66.43 REMARK 500 2 MET A 114 44.92 -100.73 REMARK 500 2 THR A 131 -73.86 -78.98 REMARK 500 2 TYR A 150 32.57 -89.45 REMARK 500 2 SER A 168 14.60 -66.46 REMARK 500 2 HIS A 174 -167.73 -108.33 REMARK 500 2 HIS A 177 -169.29 -116.62 REMARK 500 3 PRO A 3 -75.67 -53.55 REMARK 500 3 VAL A 27 91.18 -56.49 REMARK 500 3 PHE A 56 -145.37 -92.01 REMARK 500 3 ARG A 57 -78.18 -140.23 REMARK 500 3 PHE A 60 -71.52 -39.50 REMARK 500 3 ASP A 62 -74.79 -59.02 REMARK 500 3 ALA A 64 -71.83 -59.36 REMARK 500 3 HIS A 68 -73.38 -54.60 REMARK 500 3 VAL A 69 -65.02 -29.73 REMARK 500 3 THR A 70 109.78 -50.28 REMARK 500 REMARK 500 THIS ENTRY HAS 183 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL DBREF 1MK3 A 1 170 UNP Q92843 BCLW_HUMAN 2 171 SEQADV 1MK3 VAL A 116 UNP Q92843 PRO 117 ENGINEERED MUTATION SEQADV 1MK3 LEU A 171 UNP Q92843 EXPRESSION TAG SEQADV 1MK3 GLU A 172 UNP Q92843 EXPRESSION TAG SEQADV 1MK3 HIS A 173 UNP Q92843 EXPRESSION TAG SEQADV 1MK3 HIS A 174 UNP Q92843 EXPRESSION TAG SEQADV 1MK3 HIS A 175 UNP Q92843 EXPRESSION TAG SEQADV 1MK3 HIS A 176 UNP Q92843 EXPRESSION TAG SEQADV 1MK3 HIS A 177 UNP Q92843 EXPRESSION TAG SEQADV 1MK3 HIS A 178 UNP Q92843 EXPRESSION TAG SEQRES 1 A 178 ALA THR PRO ALA SER ALA PRO ASP THR ARG ALA LEU VAL SEQRES 2 A 178 ALA ASP PHE VAL GLY TYR LYS LEU ARG GLN LYS GLY TYR SEQRES 3 A 178 VAL CYS GLY ALA GLY PRO GLY GLU GLY PRO ALA ALA ASP SEQRES 4 A 178 PRO LEU HIS GLN ALA MET ARG ALA ALA GLY ASP GLU PHE SEQRES 5 A 178 GLU THR ARG PHE ARG ARG THR PHE SER ASP LEU ALA ALA SEQRES 6 A 178 GLN LEU HIS VAL THR PRO GLY SER ALA GLN GLN ARG PHE SEQRES 7 A 178 THR GLN VAL SER ASP GLU LEU PHE GLN GLY GLY PRO ASN SEQRES 8 A 178 TRP GLY ARG LEU VAL ALA PHE PHE VAL PHE GLY ALA ALA SEQRES 9 A 178 LEU CYS ALA GLU SER VAL ASN LYS GLU MET GLU VAL LEU SEQRES 10 A 178 VAL GLY GLN VAL GLN GLU TRP MET VAL ALA TYR LEU GLU SEQRES 11 A 178 THR ARG LEU ALA ASP TRP ILE HIS SER SER GLY GLY TRP SEQRES 12 A 178 ALA GLU PHE THR ALA LEU TYR GLY ASP GLY ALA LEU GLU SEQRES 13 A 178 GLU ALA ARG ARG LEU ARG GLU GLY ASN TRP ALA SER VAL SEQRES 14 A 178 ARG LEU GLU HIS HIS HIS HIS HIS HIS HELIX 1 1 ASP A 8 GLN A 23 1 16 HELIX 2 2 PRO A 40 PHE A 56 1 17 HELIX 3 3 ARG A 58 THR A 70 1 13 HELIX 4 4 ALA A 74 GLN A 87 1 14 HELIX 5 5 TRP A 92 LYS A 112 1 21 HELIX 6 6 MET A 114 ARG A 132 1 19 HELIX 7 7 LEU A 133 GLY A 141 1 9 HELIX 8 8 GLY A 142 ALA A 148 1 7 HELIX 9 9 ALA A 154 SER A 168 1 15 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 - t 27 2 Bytes