Header list of 1o8t.pdb file
Complete list - r 25 2 Bytes
HEADER LIPID TRANSPORT 29-NOV-02 1O8T TITLE GLOBAL STRUCTURE AND DYNAMICS OF HUMAN APOLIPOPROTEIN CII TITLE 2 IN COMPLEX WITH MICELLES: EVIDENCE FOR INCREASED MOBILITY TITLE 3 OF THE HELIX INVOLVVED IN THE ACTIVATION OF LIPOPROTEIN TITLE 4 LIPASE. COMPND MOL_ID: 1; COMPND 2 MOLECULE: APOLIPOPROTEIN C-II; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: APO-CII; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 ORGAN: LIVER; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET29A(+); SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET29A-HAPOCII KEYWDS APOCII, LPL, ACTIVATION MECHANISM, DOMAIN MOTION, SDS, KEYWDS 2 MICELLE, GLOBAL STRUCTURE, LOCAL STRUCTURE, STRUCTURE, KEYWDS 3 DYNAMICS, HELIX , LIPID TRANSPORT, LIPID DEGRADATION, KEYWDS 4 CHYLOMICRON EXPDTA SOLUTION NMR NUMMDL 68 AUTHOR J.ZDUNEK,G.V.MARTINEZ,J.SCHLEUCHER,P.O.LYCKSELL,Y.YIN, AUTHOR 2 S.NILSSON,Y.SHEN,G.OLIVECRONA,S.WIJMENGA REVDAT 3 24-FEB-09 1O8T 1 VERSN REVDAT 2 07-MAR-03 1O8T 1 REMARK ENDMDL REVDAT 1 27-FEB-03 1O8T 0 REVDAT 1 18-MAR-04 1O8T 0 JRNL AUTH J.ZDUNEK,G.V.MARTINEZ,J.SCHLEUCHER,P.O.LYCKSELL, JRNL AUTH 2 Y.YIN,S.NILSSON,Y.SHEN,G.OLIVECRONA,S.WIJMENGA JRNL TITL GLOBAL STRUCTURE AND DYNAMICS OF HUMAN JRNL TITL 2 APOLIPOPROTEIN CII IN COMPLEX WITH MICELLES: JRNL TITL 3 EVIDENCE FOR INCREASED MOBILITY OF THE HELIX JRNL TITL 4 INVOLVED IN THE ACTIVATION OF LIPOPROTEIN LIPASE JRNL REF BIOCHEMISTRY V. 42 1872 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 12590574 JRNL DOI 10.1021/BI0267184 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: IN ADDITION TO CLASSICAL NMR REMARK 3 CONSTRAINTS THREE TYPES OF GLOBAL CONSTRAINTS WERE USED TO REMARK 3 DEFINE THE GLOBAL STRUCTURE OF APO-CII IN THE APO-CII/SDS- REMARK 3 MICELLE COMPLEX. SCRIPTS FOR THE GLOBAL STRUCTURE REMARK 3 DETERMINATION HAVE BEEN WRITTEN AND ARE AVAILABLE UPON REMARK 3 REQUEST. FINALLY, CNS WAS USED FOR THE FINAL MINIMIZATION. REMARK 4 REMARK 4 1O8T COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 02-DEC-02. REMARK 100 THE PDBE ID CODE IS EBI-11810. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : 10 MM ACETIC ACID 380 MM REMARK 210 SDS REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : CBCANHCBCA(CO)NHCBCACO(N) REMARK 210 HHNCOSPIN-LOCK HCANHHCC(CO) REMARK 210 NH1H-15N NOESY-HSQC2D REMARK 210 NOESY1H-15N HNHA15N T115N REMARK 210 T215N-{1H} NOE REMARK 210 SPECTROMETER FIELD STRENGTH : 600; 500; 400 REMARK 210 SPECTROMETER MODEL : DRX600; AMX2 500; DRX400 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XEASY, SYBYL, XPLOR, CNS REMARK 210 METHOD USED : RESTRAINT MOLECULAR REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 68 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST ENERGY, LEAST REMARK 210 RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 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 400 REMARK 400 COMPOUND REMARK 400 APOC-II IS A COMPONENT OF THE VERY LOW DENSITY REMARK 400 LIPOPROTEIN (VLDL) FUNCTIONS AS AN ACTIVATOR OF REMARK 400 SEVERAL TRIACYLGLYCEROL LIPASES. 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 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 10 76.14 -66.76 REMARK 500 1 VAL A 18 -48.52 -29.72 REMARK 500 2 GLN A 3 119.06 -163.57 REMARK 500 2 PRO A 10 94.04 -63.82 REMARK 500 2 VAL A 18 -51.34 -29.93 REMARK 500 2 PRO A 43 34.07 -85.87 REMARK 500 2 GLU A 78 36.30 -140.83 REMARK 500 3 ASP A 7 -156.52 -71.21 REMARK 500 3 PHE A 14 -49.03 -149.87 REMARK 500 3 VAL A 18 -49.34 -29.96 REMARK 500 4 PHE A 14 -79.89 -145.73 REMARK 500 4 PRO A 43 44.80 -93.16 REMARK 500 5 GLN A 3 71.97 63.88 REMARK 500 5 GLU A 8 -73.32 -70.15 REMARK 500 5 PHE A 14 -15.63 82.03 REMARK 500 5 GLU A 78 44.92 -158.59 REMARK 500 6 GLN A 2 107.32 67.57 REMARK 500 6 PHE A 14 -70.50 -116.80 REMARK 500 6 PRO A 43 35.35 -92.99 REMARK 500 7 GLN A 5 -70.60 -72.67 REMARK 500 7 GLN A 6 -178.39 -67.83 REMARK 500 7 PHE A 14 -59.51 -138.95 REMARK 500 7 PRO A 43 33.92 -92.12 REMARK 500 8 GLN A 6 73.38 -67.89 REMARK 500 8 PRO A 12 103.04 -49.35 REMARK 500 8 GLU A 78 38.50 -145.03 REMARK 500 9 PHE A 14 -73.27 -118.33 REMARK 500 9 VAL A 18 -52.66 -29.96 REMARK 500 10 PRO A 4 30.27 -84.82 REMARK 500 10 PHE A 14 -50.87 -149.39 REMARK 500 10 VAL A 18 -52.05 -29.99 REMARK 500 10 GLU A 78 -60.47 -168.15 REMARK 500 11 GLN A 2 121.02 68.12 REMARK 500 11 VAL A 18 -54.52 -29.73 REMARK 500 11 PRO A 43 33.83 -91.50 REMARK 500 12 GLN A 2 -64.41 -122.44 REMARK 500 12 PRO A 4 40.27 -88.36 REMARK 500 12 GLN A 6 -157.27 -67.84 REMARK 500 12 VAL A 18 -50.06 -29.35 REMARK 500 12 PRO A 43 48.36 -92.30 REMARK 500 13 GLN A 2 48.45 -107.92 REMARK 500 13 GLN A 3 -70.03 -131.05 REMARK 500 13 VAL A 18 -54.08 -29.54 REMARK 500 14 PHE A 14 -55.40 -155.87 REMARK 500 14 VAL A 18 -48.02 -29.58 REMARK 500 15 PRO A 4 81.08 -69.90 REMARK 500 15 VAL A 18 -45.94 -29.73 REMARK 500 15 GLU A 78 -73.16 -174.19 REMARK 500 16 PRO A 10 86.35 -69.57 REMARK 500 16 PHE A 14 -51.75 -154.24 REMARK 500 16 GLU A 78 -60.67 -172.66 REMARK 500 17 VAL A 18 -48.96 -29.69 REMARK 500 17 GLU A 78 36.50 -142.83 REMARK 500 18 GLN A 2 50.04 -113.66 REMARK 500 18 VAL A 18 -51.03 -29.79 REMARK 500 18 PRO A 43 37.55 -92.97 REMARK 500 18 GLU A 78 -71.45 -129.44 REMARK 500 19 PRO A 43 38.59 -91.14 REMARK 500 20 THR A 13 -87.00 -71.88 REMARK 500 20 PHE A 14 -83.32 60.34 REMARK 500 20 GLU A 78 -72.69 -131.27 REMARK 500 21 GLN A 6 77.39 -67.75 REMARK 500 21 PHE A 14 -57.02 -124.99 REMARK 500 21 VAL A 18 -45.24 -29.59 REMARK 500 21 PRO A 43 30.33 -92.16 REMARK 500 22 GLU A 78 -68.29 -140.79 REMARK 500 23 GLN A 2 44.51 -155.38 REMARK 500 23 GLN A 6 82.77 -67.73 REMARK 500 23 PHE A 14 -53.75 -151.54 REMARK 500 23 VAL A 18 -45.55 -29.99 REMARK 500 23 PRO A 43 42.70 -93.64 REMARK 500 24 GLN A 3 146.13 71.17 REMARK 500 24 PHE A 14 -59.10 -153.46 REMARK 500 24 GLU A 78 38.33 -150.91 REMARK 500 25 ASP A 7 -75.24 -71.03 REMARK 500 25 PRO A 43 34.94 -91.18 REMARK 500 26 PRO A 12 45.72 -83.46 REMARK 500 26 VAL A 18 -45.39 -29.63 REMARK 500 27 GLU A 8 -70.87 -70.24 REMARK 500 27 PHE A 14 -63.00 -150.03 REMARK 500 27 VAL A 18 -53.35 -29.66 REMARK 500 27 PRO A 43 31.86 -92.16 REMARK 500 28 GLN A 3 65.54 60.83 REMARK 500 28 PHE A 14 -61.28 -103.39 REMARK 500 28 VAL A 18 -46.55 -29.72 REMARK 500 28 GLU A 78 -54.36 -175.09 REMARK 500 30 GLN A 5 -161.45 -72.68 REMARK 500 30 PHE A 14 -69.08 73.70 REMARK 500 30 VAL A 18 -46.68 -29.94 REMARK 500 30 PRO A 43 43.64 -88.19 REMARK 500 31 GLU A 8 -74.32 -70.31 REMARK 500 31 PHE A 14 -60.87 -125.02 REMARK 500 31 VAL A 18 -53.77 -29.91 REMARK 500 31 PRO A 43 35.95 -93.37 REMARK 500 32 PRO A 4 30.78 -90.22 REMARK 500 32 PHE A 14 -43.19 -142.18 REMARK 500 32 VAL A 18 -49.18 -29.51 REMARK 500 32 PRO A 43 31.77 -91.98 REMARK 500 33 VAL A 18 -48.97 -29.90 REMARK 500 34 GLN A 2 52.11 -103.54 REMARK 500 34 GLN A 6 -73.07 -67.75 REMARK 500 34 VAL A 18 -45.76 -29.61 REMARK 500 34 PRO A 43 32.31 -89.88 REMARK 500 35 PHE A 14 -67.22 -149.54 REMARK 500 35 VAL A 18 -48.79 -29.83 REMARK 500 35 PRO A 43 34.41 -91.41 REMARK 500 35 GLU A 78 35.43 -153.90 REMARK 500 36 GLN A 6 -74.59 -67.67 REMARK 500 36 PHE A 14 -63.96 -107.21 REMARK 500 36 GLU A 78 -65.62 -170.59 REMARK 500 37 GLN A 2 86.32 60.86 REMARK 500 37 PRO A 10 -168.10 -76.81 REMARK 500 37 PRO A 12 -163.90 -70.05 REMARK 500 37 THR A 13 -78.08 -71.84 REMARK 500 37 PHE A 14 -66.99 69.89 REMARK 500 38 GLN A 2 -66.79 -109.31 REMARK 500 38 PHE A 14 -69.15 -122.27 REMARK 500 38 PRO A 43 42.67 -93.36 REMARK 500 39 GLN A 3 70.78 63.75 REMARK 500 39 ASP A 7 -75.03 -71.08 REMARK 500 39 VAL A 18 -46.96 -29.81 REMARK 500 39 PRO A 43 37.88 -91.25 REMARK 500 39 GLU A 78 -55.45 -173.22 REMARK 500 40 PRO A 4 82.75 -67.80 REMARK 500 40 GLN A 6 71.50 -67.91 REMARK 500 40 PRO A 12 -168.98 -72.96 REMARK 500 40 GLU A 78 33.25 -151.06 REMARK 500 42 GLN A 2 142.01 71.29 REMARK 500 42 THR A 13 -76.27 -71.91 REMARK 500 42 PHE A 14 -77.96 65.44 REMARK 500 43 PHE A 14 -56.67 -134.56 REMARK 500 43 PRO A 43 40.57 -91.31 REMARK 500 43 GLU A 78 38.93 -146.93 REMARK 500 44 PHE A 14 -61.13 -166.42 REMARK 500 44 VAL A 18 -50.31 -29.18 REMARK 500 44 PRO A 43 37.03 -93.08 REMARK 500 44 GLU A 78 -64.78 -103.86 REMARK 500 45 PHE A 14 -61.92 -173.40 REMARK 500 46 THR A 13 -71.67 -71.96 REMARK 500 46 PHE A 14 -87.89 60.14 REMARK 500 46 VAL A 18 -46.88 -29.56 REMARK 500 46 GLU A 78 36.82 -152.29 REMARK 500 47 GLN A 6 65.76 -68.00 REMARK 500 47 PHE A 14 -64.97 -103.72 REMARK 500 47 VAL A 18 -53.24 -29.99 REMARK 500 48 GLN A 6 65.84 -67.99 REMARK 500 48 TYR A 41 44.50 -173.94 REMARK 500 49 GLN A 3 60.71 60.66 REMARK 500 49 GLN A 6 -173.10 -67.81 REMARK 500 49 THR A 13 -79.14 -71.92 REMARK 500 50 GLN A 3 -63.20 -166.25 REMARK 500 50 PHE A 14 -53.52 -130.48 REMARK 500 50 GLU A 78 -68.00 -170.70 REMARK 500 51 GLN A 6 -101.62 24.35 REMARK 500 51 PRO A 12 -171.65 -68.52 REMARK 500 51 PHE A 14 -58.97 -131.89 REMARK 500 51 VAL A 18 -41.27 -29.98 REMARK 500 52 LEU A 42 67.56 67.73 REMARK 500 52 PRO A 43 -76.57 -95.14 REMARK 500 52 GLU A 78 40.17 -153.83 REMARK 500 53 PHE A 14 -71.14 -130.43 REMARK 500 53 GLU A 78 -61.94 -172.79 REMARK 500 54 GLN A 3 71.95 -151.54 REMARK 500 54 VAL A 18 -46.99 -29.76 REMARK 500 54 GLU A 78 -60.71 -172.45 REMARK 500 55 GLN A 6 -175.44 -67.81 REMARK 500 55 VAL A 18 -49.73 -29.75 REMARK 500 55 PRO A 43 34.99 -90.69 REMARK 500 55 GLU A 78 -62.82 -147.82 REMARK 500 56 PHE A 14 -52.81 -160.73 REMARK 500 57 GLN A 2 108.21 68.09 REMARK 500 57 PRO A 10 80.88 -67.00 REMARK 500 57 PRO A 43 36.83 -92.97 REMARK 500 57 GLU A 78 -61.34 -149.80 REMARK 500 58 GLN A 3 -62.07 -161.23 REMARK 500 58 GLN A 6 -177.13 -67.72 REMARK 500 59 PRO A 4 82.37 -69.92 REMARK 500 59 GLN A 6 75.16 -67.81 REMARK 500 59 GLU A 78 37.47 -144.51 REMARK 500 60 VAL A 18 -44.32 -29.80 REMARK 500 60 PRO A 43 36.52 -92.81 REMARK 500 61 GLN A 2 84.51 57.37 REMARK 500 61 GLN A 3 64.69 -169.77 REMARK 500 61 GLN A 5 -74.07 -72.56 REMARK 500 61 PRO A 12 91.33 -66.82 REMARK 500 61 PHE A 14 -62.02 -143.10 REMARK 500 61 GLU A 78 -55.13 -173.34 REMARK 500 62 GLN A 6 -176.44 -67.81 REMARK 500 62 PRO A 12 105.88 -54.57 REMARK 500 62 PHE A 14 -66.24 -106.18 REMARK 500 63 PRO A 10 -167.76 -72.52 REMARK 500 63 PHE A 14 -65.55 -168.28 REMARK 500 63 VAL A 18 -55.48 -29.52 REMARK 500 63 GLU A 78 -74.31 -74.38 REMARK 500 64 PHE A 14 -43.84 79.80 REMARK 500 64 VAL A 18 -45.99 -29.45 REMARK 500 64 PRO A 43 41.30 -92.53 REMARK 500 65 GLN A 6 71.88 -67.87 REMARK 500 65 PHE A 14 -63.89 -125.89 REMARK 500 65 PRO A 43 40.31 -92.67 REMARK 500 65 VAL A 45 -65.55 -27.78 REMARK 500 65 GLU A 78 38.30 -149.00 REMARK 500 66 LEU A 42 72.27 41.93 REMARK 500 66 PRO A 43 -69.98 -92.75 REMARK 500 66 GLU A 78 33.90 -147.30 REMARK 500 67 GLN A 6 67.79 -67.87 REMARK 500 67 PRO A 12 -159.42 -79.03 REMARK 500 67 PHE A 14 -49.53 84.23 REMARK 500 67 VAL A 18 -50.49 -29.97 REMARK 500 67 PRO A 43 -62.34 -93.38 REMARK 500 67 GLU A 78 -76.58 -74.50 REMARK 500 68 GLN A 3 -61.13 -170.65 REMARK 500 68 TYR A 41 -79.65 -65.78 REMARK 500 68 LEU A 42 -54.09 174.37 REMARK 500 68 VAL A 45 -77.00 -42.72 REMARK 500 REMARK 500 REMARK: NULL REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: AUTHOR PROVIDED. REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BY6 RELATED DB: PDB REMARK 900 PEPTIDE OF HUMAN APOLIPOPROTEIN C-II REMARK 900 RELATED ID: 1I5J RELATED DB: PDB REMARK 900 NMR STRUCTURE OF HUMAN APOLIPOPROTEIN C-II REMARK 900 IN THE PRESENCE OF SDS DBREF 1O8T A 1 79 UNP P02655 APC2_HUMAN 23 101 SEQRES 1 A 79 THR GLN GLN PRO GLN GLN ASP GLU MET PRO SER PRO THR SEQRES 2 A 79 PHE LEU THR GLN VAL LYS GLU SER LEU SER SER TYR TRP SEQRES 3 A 79 GLU SER ALA LYS THR ALA ALA GLN ASN LEU TYR GLU LYS SEQRES 4 A 79 THR TYR LEU PRO ALA VAL ASP GLU LYS LEU ARG ASP LEU SEQRES 5 A 79 TYR SER LYS SER THR ALA ALA MET SER THR TYR THR GLY SEQRES 6 A 79 ILE PHE THR ASP GLN VAL LEU SER VAL LEU LYS GLY GLU SEQRES 7 A 79 GLU HELIX 1 1 THR A 16 GLU A 38 1 23 HELIX 2 2 VAL A 45 ALA A 58 1 14 HELIX 3 3 THR A 64 VAL A 74 1 11 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 25 2 Bytes