Header list of 1ucp.pdb file
Complete list - r 2 2 Bytes
HEADER APOPTOSIS 16-APR-03 1UCP TITLE NMR STRUCTURE OF THE PYRIN DOMAIN OF HUMAN ASC COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOPTOSIS-ASSOCIATED SPECK-LIKE PROTEIN CONTAINING A CARD; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PYRIN DOMAIN; COMPND 5 SYNONYM: PYCARD, ASC; 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 TISSUE: LYMPHOCYTES; SOURCE 6 GENE: ASC; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: M15; SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PQE30 KEYWDS DEATH DOMAIN FOLD, APOPTOSIS EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR E.LIEPINSH,R.BARBALS,E.DAHL,A.SHARIPO,E.STAUB,G.OTTING REVDAT 3 02-MAR-22 1UCP 1 REMARK REVDAT 2 24-FEB-09 1UCP 1 VERSN REVDAT 1 04-NOV-03 1UCP 0 JRNL AUTH E.LIEPINSH,R.BARBALS,E.DAHL,A.SHARIPO,E.STAUB,G.OTTING JRNL TITL THE DEATH-DOMAIN FOLD OF THE ASC PYRIN DOMAIN, PRESENTING A JRNL TITL 2 BASIS FOR PYRIN/PYRIN RECOGNITION JRNL REF J.MOL.BIOL. V. 332 1155 2003 JRNL REFN ISSN 0022-2836 JRNL PMID 14499617 JRNL DOI 10.1016/J.JMB.2003.07.007 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DYANA 1.5, OPAL 2.6 REMARK 3 AUTHORS : GUENTERT (DYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1118 NOE-DERIVED DISTANCE RESTRAINTS, REMARK 3 206 COUPLING CONSTANTS REMARK 4 REMARK 4 1UCP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-APR-03. REMARK 100 THE DEPOSITION ID IS D_1000005681. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 301 REMARK 210 PH : 3.7 REMARK 210 IONIC STRENGTH : 50MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM PYRIN DOMAIN; 1MM PYRIN REMARK 210 DOMAIN REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; W1-DECOUPLED REMARK 210 NOESY; DQF-COSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS 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 : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS,TARGET REMARK 210 FUNCTION 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 29 -63.63 -104.42 REMARK 500 1 ASP A 48 -162.92 -128.23 REMARK 500 1 TYR A 60 -96.95 -127.41 REMARK 500 1 HIS A 90 80.33 -151.68 REMARK 500 2 SER A 29 -57.89 -122.46 REMARK 500 2 ASP A 48 -164.82 -122.70 REMARK 500 2 TYR A 60 -96.87 -129.38 REMARK 500 2 HIS A 90 113.77 -164.10 REMARK 500 3 SER A 29 -73.70 -123.00 REMARK 500 3 ASP A 48 -164.73 -124.58 REMARK 500 3 TYR A 60 -96.66 -107.95 REMARK 500 4 TYR A 60 -96.80 -126.57 REMARK 500 5 SER A 29 -63.58 -130.06 REMARK 500 5 TYR A 60 -96.84 -123.33 REMARK 500 6 TYR A 60 -96.81 -125.92 REMARK 500 7 ASP A 48 -167.55 -126.60 REMARK 500 7 TYR A 60 -96.28 -107.55 REMARK 500 7 HIS A 90 30.99 -76.43 REMARK 500 8 SER A 29 -76.03 -107.75 REMARK 500 8 ASP A 48 -164.53 -120.46 REMARK 500 8 TYR A 60 -96.99 -117.55 REMARK 500 8 HIS A 90 105.78 -161.58 REMARK 500 9 SER A 29 -63.61 -142.20 REMARK 500 9 ASP A 48 -164.47 -102.15 REMARK 500 9 TYR A 60 -96.88 -128.48 REMARK 500 9 HIS A 90 117.00 -160.89 REMARK 500 10 ARG A 3 -31.00 -36.96 REMARK 500 10 ASP A 48 -163.53 -109.27 REMARK 500 10 TYR A 60 -96.21 -120.24 REMARK 500 11 LEU A 28 43.41 -106.55 REMARK 500 11 SER A 29 -70.13 -128.21 REMARK 500 11 ASP A 48 -161.40 -116.27 REMARK 500 11 TYR A 60 -96.92 -110.86 REMARK 500 12 SER A 29 -66.03 -123.83 REMARK 500 12 ASP A 48 -160.48 -129.45 REMARK 500 12 TYR A 60 -96.84 -115.99 REMARK 500 12 HIS A 90 105.71 -166.88 REMARK 500 13 ASP A 48 -164.55 -112.26 REMARK 500 13 TYR A 60 -96.82 -129.53 REMARK 500 13 HIS A 90 112.58 -166.33 REMARK 500 14 SER A 29 -72.29 -107.93 REMARK 500 14 ASP A 48 -160.63 -122.07 REMARK 500 14 TYR A 60 -96.94 -103.34 REMARK 500 14 HIS A 90 34.96 -80.80 REMARK 500 15 LEU A 28 23.51 -147.46 REMARK 500 15 ASP A 48 -167.05 -108.04 REMARK 500 15 VAL A 57 -63.27 -91.68 REMARK 500 15 TYR A 60 -96.90 -125.40 REMARK 500 15 HIS A 90 41.56 -79.38 REMARK 500 16 SER A 29 -70.56 -123.06 REMARK 500 REMARK 500 THIS ENTRY HAS 66 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 MET A 1 GLY A 2 6 142.12 REMARK 500 MET A 1 GLY A 2 10 -145.41 REMARK 500 MET A 1 GLY A 2 20 149.60 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 1 TYR A 36 0.08 SIDE CHAIN REMARK 500 1 ARG A 38 0.09 SIDE CHAIN REMARK 500 1 ARG A 74 0.10 SIDE CHAIN REMARK 500 4 ARG A 3 0.09 SIDE CHAIN REMARK 500 4 ARG A 74 0.10 SIDE CHAIN REMARK 500 5 ARG A 38 0.13 SIDE CHAIN REMARK 500 6 ARG A 41 0.09 SIDE CHAIN REMARK 500 7 ARG A 3 0.08 SIDE CHAIN REMARK 500 7 ARG A 5 0.16 SIDE CHAIN REMARK 500 10 ARG A 74 0.08 SIDE CHAIN REMARK 500 11 ARG A 38 0.10 SIDE CHAIN REMARK 500 12 ARG A 33 0.08 SIDE CHAIN REMARK 500 16 ARG A 5 0.14 SIDE CHAIN REMARK 500 17 ARG A 3 0.09 SIDE CHAIN REMARK 500 20 ARG A 5 0.09 SIDE CHAIN REMARK 500 20 TYR A 64 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 5780 RELATED DB: BMRB REMARK 900 CHEMICAL SHIFTS DBREF 1UCP A 1 91 UNP Q9ULZ3 ASC_HUMAN 1 91 SEQRES 1 A 91 MET GLY ARG ALA ARG ASP ALA ILE LEU ASP ALA LEU GLU SEQRES 2 A 91 ASN LEU THR ALA GLU GLU LEU LYS LYS PHE LYS LEU LYS SEQRES 3 A 91 LEU LEU SER VAL PRO LEU ARG GLU GLY TYR GLY ARG ILE SEQRES 4 A 91 PRO ARG GLY ALA LEU LEU SER MET ASP ALA LEU ASP LEU SEQRES 5 A 91 THR ASP LYS LEU VAL SER PHE TYR LEU GLU THR TYR GLY SEQRES 6 A 91 ALA GLU LEU THR ALA ASN VAL LEU ARG ASP MET GLY LEU SEQRES 7 A 91 GLN GLU MET ALA GLY GLN LEU GLN ALA ALA THR HIS GLN HELIX 1 1 GLY A 2 LEU A 15 1 14 HELIX 2 2 THR A 16 LEU A 27 1 12 HELIX 3 3 PRO A 40 MET A 47 1 8 HELIX 4 4 ASP A 48 PHE A 59 1 12 HELIX 5 5 LEU A 61 MET A 76 1 16 HELIX 6 6 GLN A 79 GLN A 91 1 13 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