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Дата изменения: Thu May 24 19:24:02 2012
Дата индексирования: Tue Oct 2 12:35:17 2012
Кодировка:
REM -------------------------------------------------------------------- 3ORC
REM 3ORC
REM STRIDE: Knowledge-based secondary structure assignment 3ORC
REM Please cite: D.Frishman & P.Argos, Proteins 23, 566-579, 1995 3ORC
REM 3ORC
REM Residue accessible surface area calculation 3ORC
REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 3ORC
REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 3ORC
REM 3ORC
REM ------------------------ General information ----------------------- 3ORC
REM 3ORC
HDR GENE REGULATION/DNA 23-APR-98 3ORC 3ORC
CMP MOL_ID: 1; 3ORC
CMP MOLECULE: DNA (5'-D(*TP*AP*TP*CP*GP*AP*TP*A)-3'); 3ORC
CMP CHAIN: R, S; 3ORC
CMP ENGINEERED: YES; 3ORC
CMP OTHER_DETAILS: 50% OCCUPANCY IN THE OUTERMOST POSITIONS; 3ORC
CMP MOL_ID: 2; 3ORC
CMP MOLECULE: PROTEIN (CRO REPRESSOR); 3ORC
CMP CHAIN: A; 3ORC
CMP ENGINEERED: YES; 3ORC
CMP MUTATION: YES; 3ORC
CMP OTHER_DETAILS: WILDTYPE CRO DOES NOT FORM STABLE MONOMERS. 3ORC
CMP THE ENGINEERED-MONOMER PRESENTED HERE CONTAINS A 5- 3ORC
CMP RESIDUE INSERTION [DGEVK] FOLLOWING K 56. THE FIRST 2 3ORC
CMP RESIDUES OF THIS INSERTION ALLOW THE FORMATION OF A BETA- 3ORC
CMP TURN. THE REMAINING 3 RESIDUES MIMIC RESIDUES OF THE 3ORC
CMP WILDTYPE DIMER INTERFACE, ALLOWING STABILIZING 3ORC
CMP INTERACTIONS TO BE MAINTAINED. THE OVERALL STRUCTURE OF 3ORC
CMP THIS MONOMER IS QUITE SIMILAR TO A SUBUNIT OF THE WILDTYPE 3ORC
CMP DIMER. 3ORC
SRC MOL_ID: 1; 3ORC
SRC SYNTHETIC: YES; 3ORC
SRC MOL_ID: 2; 3ORC
SRC ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE LAMBDA; 3ORC
SRC ORGANISM_TAXID: 10710; 3ORC
SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI; 3ORC
SRC EXPRESSION_SYSTEM_TAXID: 562; 3ORC
SRC EXPRESSION_SYSTEM_STRAIN: X90; 3ORC
SRC EXPRESSION_SYSTEM_PLASMID: PUCRO.MDG; 3ORC
SRC EXPRESSION_SYSTEM_GENE: CRO MUTANT K56-[DGEVK] 3ORC
AUT R.A.ALBRIGHT,M.C.MOSSING,B.W.MATTHEWS 3ORC
REM 3ORC
REM -------------------- Secondary structure summary ------------------- 3ORC
REM 3ORC
CHN /data/npidb/pdb/pdb_new/all/pdb3orc.pdb A 3ORC
REM 3ORC
REM . . . . . 3ORC
SEQ 1 EQRITLKDYAMRFGQTKTAKDLGVYQSAINKAIHAGRKIFLTINADGSVY 50 3ORC
STR EEEHHHHHHHH HHHHHHHH HHHHHHHHHH EEEEEETTTEEE 3ORC
REM 3ORC
REM . 3ORC
SEQ 51 AEEVKDGEVKPFPSN 65 3ORC
STR EEETTTTT BBTTT 3ORC
REM 3ORC
REM 3ORC
REM 3ORC
LOC AlphaHelix LEU 7 A PHE 14 A 3ORC
LOC AlphaHelix GLN 16 A LEU 23 A 3ORC
LOC AlphaHelix GLN 27 A ALA 36 A 3ORC
LOC Strand ARG 4 A THR 6 A 3ORC
LOC Strand ILE 40 A ASN 45 A 3ORC
LOC Strand SER 49 A GLU 54 A 3ORC
LOC TurnI ASN 45 A GLY 48 A 3ORC
LOC TurnIV ALA 46 A SER 49 A 3ORC
LOC TurnIV VAL 55 A GLY 58 A 3ORC
LOC TurnIV LYS 56 A GLU 59 A 3ORC
LOC TurnIV PRO 62 A SER 65 A 3ORC
REM 3ORC
REM --------------- Detailed secondary structure assignment------------- 3ORC
REM 3ORC
REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 3ORC
ASG GLU A 2 1 C Coil 360.00 -2.22 134.3 3ORC
ASG GLN A 3 2 C Coil -158.13 -21.79 113.9 3ORC
ASG ARG A 4 3 E Strand -161.97 114.08 156.5 3ORC
ASG ILE A 5 4 E Strand -139.86 165.85 27.1 3ORC
ASG THR A 6 5 E Strand -73.83 165.09 45.4 3ORC
ASG LEU A 7 6 H AlphaHelix -66.28 -61.80 4.8 3ORC
ASG LYS A 8 7 H AlphaHelix -41.09 -42.26 107.3 3ORC
ASG ASP A 9 8 H AlphaHelix -66.05 -60.79 41.3 3ORC
ASG TYR A 10 9 H AlphaHelix -45.76 -31.78 10.4 3ORC
ASG ALA A 11 10 H AlphaHelix -62.68 -67.44 9.2 3ORC
ASG MET A 12 11 H AlphaHelix -42.96 -42.48 140.9 3ORC
ASG ARG A 13 12 H AlphaHelix -66.21 -76.50 144.5 3ORC
ASG PHE A 14 13 H AlphaHelix -85.54 8.36 105.4 3ORC
ASG GLY A 15 14 C Coil 64.39 133.36 33.4 3ORC
ASG GLN A 16 15 H AlphaHelix -40.22 -31.34 47.2 3ORC
ASG THR A 17 16 H AlphaHelix -68.21 -62.71 97.2 3ORC
ASG LYS A 18 17 H AlphaHelix -51.09 -42.71 91.9 3ORC
ASG THR A 19 18 H AlphaHelix -52.44 -68.24 0.2 3ORC
ASG ALA A 20 19 H AlphaHelix -31.72 -61.43 5.0 3ORC
ASG LYS A 21 20 H AlphaHelix -51.40 -55.25 72.3 3ORC
ASG ASP A 22 21 H AlphaHelix -51.50 -45.56 64.4 3ORC
ASG LEU A 23 22 H AlphaHelix -71.57 -33.64 27.6 3ORC
ASG GLY A 24 23 C Coil 88.16 40.42 61.1 3ORC
ASG VAL A 25 24 C Coil -129.84 177.12 21.6 3ORC
ASG TYR A 26 25 C Coil -86.15 129.48 203.9 3ORC
ASG GLN A 27 26 H AlphaHelix -31.86 -46.48 82.5 3ORC
ASG SER A 28 27 H AlphaHelix -63.60 -31.73 79.8 3ORC
ASG ALA A 29 28 H AlphaHelix -52.30 -45.21 41.7 3ORC
ASG ILE A 30 29 H AlphaHelix -62.43 -71.52 0.2 3ORC
ASG ASN A 31 30 H AlphaHelix -49.56 -33.76 61.7 3ORC
ASG LYS A 32 31 H AlphaHelix -64.46 -48.62 154.0 3ORC
ASG ALA A 33 32 H AlphaHelix -51.79 -55.54 1.6 3ORC
ASG ILE A 34 33 H AlphaHelix -57.90 -48.02 39.8 3ORC
ASG HIS A 35 34 H AlphaHelix -52.91 -24.65 138.1 3ORC
ASG ALA A 36 35 H AlphaHelix -96.88 -2.76 69.0 3ORC
ASG GLY A 37 36 C Coil 47.70 77.01 62.7 3ORC
ASG ARG A 38 37 C Coil -110.08 138.71 106.4 3ORC
ASG LYS A 39 38 C Coil -74.65 92.91 146.0 3ORC
ASG ILE A 40 39 E Strand -120.84 145.20 0.2 3ORC
ASG PHE A 41 40 E Strand -131.78 155.38 66.5 3ORC
ASG LEU A 42 41 E Strand -131.29 144.80 0.0 3ORC
ASG THR A 43 42 E Strand -115.61 157.61 19.2 3ORC
ASG ILE A 44 43 E Strand -123.98 95.00 41.5 3ORC
ASG ASN A 45 44 E Strand -56.09 127.60 67.6 3ORC
ASG ALA A 46 45 T Turn -32.64 -31.18 113.3 3ORC
ASG ASP A 47 46 T Turn -81.06 28.50 127.0 3ORC
ASG GLY A 48 47 T Turn 55.78 14.58 53.4 3ORC
ASG SER A 49 48 E Strand -83.37 132.32 32.7 3ORC
ASG VAL A 50 49 E Strand -97.22 164.30 28.6 3ORC
ASG TYR A 51 50 E Strand -163.60 148.62 122.8 3ORC
ASG ALA A 52 51 E Strand -126.53 170.70 4.0 3ORC
ASG GLU A 53 52 E Strand -169.89 128.51 35.9 3ORC
ASG GLU A 54 53 E Strand -99.28 142.44 29.1 3ORC
ASG VAL A 55 54 T Turn -88.83 86.77 57.0 3ORC
ASG LYS A 56 55 T Turn -58.58 -82.79 149.5 3ORC
ASG ASP A 57 56 T Turn -143.17 87.88 128.6 3ORC
ASG GLY A 58 57 T Turn 79.98 -49.20 70.0 3ORC
ASG GLU A 59 58 T Turn -80.66 142.83 114.2 3ORC
ASG VAL A 60 59 C Coil -105.99 108.35 79.4 3ORC
ASG LYS A 61 60 B Bridge -99.68 176.12 76.7 3ORC
ASG PRO A 62 61 B Bridge -85.76 -172.29 81.5 3ORC
ASG PHE A 63 62 T Turn -161.93 112.81 24.3 3ORC
ASG PRO A 64 63 T Turn -84.62 173.28 60.6 3ORC
ASG SER A 65 64 T Turn -91.10 7.80 92.2 3ORC
ASG ASN A 66 65 C Coil -137.43 360.00 190.6 3ORC