2025-09-20_00000253
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ligand
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9VCE
Crystal structure of Escherichia coli tryptophanyl-tRNA synthetase in complex with 71g;
X-ray diffraction 1.82Å
Protein #1
340 residues (98% resolved)
Raw Sequence ...
MTKPIVFSGAQPSGELTIGNYMGALRQWVNMQDDYHCIYCIVDQHAITVRQDAQKLRKATLDTLALYLACGIDPEKSTIFVQSHVPEHAQLGWALNCYTYFGELSRMTQFKDKSARYAENINAGLFDYPVLMAADILLYQTNLVPVGEDQKQHLELSRDIAQRFNALYGEIFKVPEPFIPKSGARVMSLLEPTKKMSKSDDNRNNVIGLLEDPKSVVKKIKRAVTDSDEPPVVRYDVQNKAGVSNLLDILSAVTGQSIPELEKQFEGKMYGHLKGEVADAVSGMLTELQERYHRFRNDEAFLQQVMKDGAEKASAHASRTLKAVYEAIGFVAKRHHHHHH
Canonical Sequence ...
MTKPIVFSGAQPSGELTIGNYMGALRQWVNMQDDYHCIYCIVDQHAITVRQDAQKLRKATLDTLALYLACGIDPEKSTIFVQSHVPEHAQLGWALNCYTYFGELSRMTQFKDKSARYAENINAGLFDYPVLMAADILLYQTNLVPVGEDQKQHLELSRDIAQRFNALYGEIFKVPEPFIPKSGARVMSLLEPTKKMSKSDDNRNNVIGLLEDPKSVVKKIKRAVTDSDEPPVVRYDVQNKAGVSNLLDILSAVTGQSIPELEKQFEGKMYGHLKGEVADAVSGMLTELQERYHRFRNDEAFLQQVMKDGAEKASAHASRTLKAVYEAIGFVAKRHHHHHH
Non polymer #2
A1ERS
InChI=1S/C25H27N7O3/c1-16(33)28-14-17-3-2-4-21(13-17)35-20-7-5-18(6-8-20)31-22-23(26)29-15-30-24(22)32(25(31)34)19-9-11-27-12-10-19/h2-8,13,15,19,27H,9-12,14H2,1H3,(H,28,33)(H2,26,29,30)
InChI=1S/C25H27N7O3/c1-16(33)28-14-17-3-2-4-21(13-17)35-20-7-5-18(6-8-20)31-22-23(26)29-15-30-24(22)32(25(31)34)19-9-11-27-12-10-19/h2-8,13,15,19,27H,9-12,14H2,1H3,(H,28,33)(H2,26,29,30)
SMILES: CC(=O)NCc1cccc(c1)Oc2ccc(cc2)N3c4c(ncnc4N(C3=O)C5CCNCC5)N
CC(=O)NCc1cccc(c1)Oc2ccc(cc2)N3c4c(ncnc4N(C3=O)C5CCNCC5)N
Non polymer #3
CLW
InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
SMILES: c1cc2c(cc1Cl)NC(=O)O2
c1cc2c(cc1Cl)NC(=O)O2
Non polymer #4
TYM
InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1
InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1
SMILES: c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N
c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N
Biounit #1
homo-dimer
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Model
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