Header list of 1lxl.pdb file
Complete list - 23 20 Bytes
HEADER APOPTOSIS 04-APR-96 1LXL TITLE NMR STRUCTURE OF BCL-XL, AN INHIBITOR OF PROGRAMMED CELL DEATH, TITLE 2 MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: BCL-XL; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 1-209, LACKING THE C-TERMINAL HYDROPHOBIC REGION; COMPND 5 SYNONYM: APOPTOSIS REGULATOR BCL-X; 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 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HMS174 (DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET29B KEYWDS APOPTOSIS, PROGRAMMED CELL DEATH, BCL-2 FAMILY EXPDTA SOLUTION NMR AUTHOR S.W.MUCHMORE,M.SATTLER,H.LIANG,R.P.MEADOWS,J.E.HARLAN,H.S.YOON, AUTHOR 2 D.NETTESHEIM,B.S.CHANG,C.B.THOMPSON,S.L.WONG,S.C.NG,S.W.FESIK REVDAT 4 23-FEB-22 1LXL 1 REMARK REVDAT 3 24-FEB-09 1LXL 1 VERSN REVDAT 2 01-APR-03 1LXL 1 JRNL REVDAT 1 21-APR-97 1LXL 0 JRNL AUTH S.W.MUCHMORE,M.SATTLER,H.LIANG,R.P.MEADOWS,J.E.HARLAN, JRNL AUTH 2 H.S.YOON,D.NETTESHEIM,B.S.CHANG,C.B.THOMPSON,S.L.WONG, JRNL AUTH 3 S.L.NG,S.W.FESIK JRNL TITL X-RAY AND NMR STRUCTURE OF HUMAN BCL-XL, AN INHIBITOR OF JRNL TITL 2 PROGRAMMED CELL DEATH. JRNL REF NATURE V. 381 335 1996 JRNL REFN ISSN 0028-0836 JRNL PMID 8692274 JRNL DOI 10.1038/381335A0 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LXL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000174854. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.3 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NMR SPECTRA WERE RECORDED ON 1-3 MM SOLUTIONS OF BCL-XL IN REMARK 210 20 MM SODIUM PHOSPHATE BUFFER (PH 7.3), 5 MM DTT AND 1MM EDTA AT REMARK 210 303K. 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 SER A -2 31.87 -147.66 REMARK 500 ALA A 0 -51.73 -179.24 REMARK 500 PHE A 27 -68.66 -101.22 REMARK 500 SER A 28 -45.21 83.86 REMARK 500 VAL A 30 -148.71 -127.32 REMARK 500 ASN A 33 174.20 58.96 REMARK 500 ARG A 34 -176.87 54.88 REMARK 500 GLU A 36 24.72 -153.46 REMARK 500 THR A 41 -48.01 -145.92 REMARK 500 GLU A 44 -36.20 -159.62 REMARK 500 MET A 45 179.12 55.91 REMARK 500 SER A 49 37.84 171.48 REMARK 500 ALA A 50 -77.94 173.63 REMARK 500 ILE A 51 90.75 40.10 REMARK 500 ASN A 52 173.18 -54.43 REMARK 500 ASN A 54 71.16 -179.10 REMARK 500 PRO A 55 46.12 -83.87 REMARK 500 TRP A 57 -69.97 -97.40 REMARK 500 HIS A 58 33.16 38.61 REMARK 500 LEU A 59 -77.36 77.59 REMARK 500 ASP A 61 30.51 -160.99 REMARK 500 ALA A 64 -91.25 58.23 REMARK 500 ASN A 66 111.74 64.65 REMARK 500 ALA A 68 -77.32 -114.39 REMARK 500 HIS A 71 -2.90 75.43 REMARK 500 SER A 72 31.10 -158.27 REMARK 500 SER A 73 -44.35 175.02 REMARK 500 SER A 74 -162.93 -63.69 REMARK 500 LEU A 75 103.32 58.34 REMARK 500 ALA A 77 -45.48 -132.93 REMARK 500 VAL A 80 -159.03 40.90 REMARK 500 MET A 83 -79.59 168.92 REMARK 500 ALA A 84 -90.61 57.27 REMARK 500 ARG A 100 -168.59 -122.03 REMARK 500 TYR A 101 -72.41 79.71 REMARK 500 ARG A 102 -75.50 78.99 REMARK 500 ARG A 103 -153.87 -65.55 REMARK 500 ALA A 104 -73.64 79.87 REMARK 500 GLN A 111 38.89 -97.63 REMARK 500 LEU A 112 -64.15 -155.24 REMARK 500 HIS A 113 73.10 65.26 REMARK 500 THR A 115 168.76 179.73 REMARK 500 PRO A 116 99.85 -52.86 REMARK 500 THR A 118 174.34 -52.08 REMARK 500 ALA A 119 -159.80 -164.23 REMARK 500 GLN A 121 -77.20 -67.28 REMARK 500 VAL A 135 70.60 51.36 REMARK 500 HIS A 177 -53.08 -147.01 REMARK 500 ASN A 198 -77.77 -54.54 REMARK 500 ALA A 199 44.02 177.30 REMARK 500 REMARK 500 THIS ENTRY HAS 58 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 6 0.19 SIDE CHAIN REMARK 500 ARG A 34 0.17 SIDE CHAIN REMARK 500 ARG A 78 0.26 SIDE CHAIN REMARK 500 ARG A 91 0.24 SIDE CHAIN REMARK 500 ARG A 100 0.32 SIDE CHAIN REMARK 500 ARG A 102 0.31 SIDE CHAIN REMARK 500 ARG A 103 0.32 SIDE CHAIN REMARK 500 ARG A 132 0.20 SIDE CHAIN REMARK 500 ARG A 139 0.21 SIDE CHAIN REMARK 500 ARG A 165 0.30 SIDE CHAIN REMARK 500 ARG A 204 0.21 SIDE CHAIN REMARK 500 ARG A 209 0.19 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1LXL A 1 209 UNP Q07817 BCLX_HUMAN 1 209 SEQRES 1 A 221 MET SER MET ALA MET SER GLN SER ASN ARG GLU LEU VAL SEQRES 2 A 221 VAL ASP PHE LEU SER TYR LYS LEU SER GLN LYS GLY TYR SEQRES 3 A 221 SER TRP SER GLN PHE SER ASP VAL GLU GLU ASN ARG THR SEQRES 4 A 221 GLU ALA PRO GLU GLY THR GLU SER GLU MET GLU THR PRO SEQRES 5 A 221 SER ALA ILE ASN GLY ASN PRO SER TRP HIS LEU ALA ASP SEQRES 6 A 221 SER PRO ALA VAL ASN GLY ALA THR GLY HIS SER SER SER SEQRES 7 A 221 LEU ASP ALA ARG GLU VAL ILE PRO MET ALA ALA VAL LYS SEQRES 8 A 221 GLN ALA LEU ARG GLU ALA GLY ASP GLU PHE GLU LEU ARG SEQRES 9 A 221 TYR ARG ARG ALA PHE SER ASP LEU THR SER GLN LEU HIS SEQRES 10 A 221 ILE THR PRO GLY THR ALA TYR GLN SER PHE GLU GLN VAL SEQRES 11 A 221 VAL ASN GLU LEU PHE ARG ASP GLY VAL ASN TRP GLY ARG SEQRES 12 A 221 ILE VAL ALA PHE PHE SER PHE GLY GLY ALA LEU CYS VAL SEQRES 13 A 221 GLU SER VAL ASP LYS GLU MET GLN VAL LEU VAL SER ARG SEQRES 14 A 221 ILE ALA ALA TRP MET ALA THR TYR LEU ASN ASP HIS LEU SEQRES 15 A 221 GLU PRO TRP ILE GLN GLU ASN GLY GLY TRP ASP THR PHE SEQRES 16 A 221 VAL GLU LEU TYR GLY ASN ASN ALA ALA ALA GLU SER ARG SEQRES 17 A 221 LYS GLY GLN GLU ARG LEU GLU HIS HIS HIS HIS HIS HIS HELIX 1 1 GLU A 7 LYS A 20 1 14 HELIX 2 2 ALA A 85 GLU A 98 1 14 HELIX 3 3 PHE A 105 LEU A 112 1 8 HELIX 4 4 TYR A 120 PHE A 131 1 12 HELIX 5 5 TRP A 137 VAL A 155 1 19 HELIX 6 6 VAL A 163 GLU A 184 1 22 HELIX 7 7 TRP A 188 LEU A 194 1 7 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
Complete list - 23 20 Bytes