eF-site ID 3nq8-A PDB Code 3nq8 Chain A click to enlarge Title Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution R4 8/5A Classification LYASE Compound deoxyribose phosphate aldolase Source (3NQ8) Sequence A:  LKASSLRALKLMHLATSANDDTDENVIALCHQAKTPVGTT DAIFIYPRFIPIARKTLKEQGTPEIRICTSTNFPHGNDDI DIALAETRAAIAYGADGVAVVFPYRALMAGNEQVGFDLVK ACKEACAAANVLLSVIIETGELKDEALIRKASEISIKAGA DYIVTSTGKVAVGATPESARIMMEVIRDMGVENTVGFIPV GGVRTAEDAQKYLAIADELFGADWADARHYAFGASGSLLA SLLKAL Description Functional site 1) chain A residue 112 type sequence A description BINDING SITE FOR RESIDUE NO3 A 268 source : AC1 2) chain A residue 207 type sequence R description BINDING SITE FOR RESIDUE NO3 A 268 source : AC1 3) chain A residue 237 type sequence A description BINDING SITE FOR RESIDUE NO3 A 268 source : AC1 4) chain A residue 238 type sequence S description BINDING SITE FOR RESIDUE NO3 A 268 source : AC1 5) chain A residue 239 type sequence G description BINDING SITE FOR RESIDUE NO3 A 268 source : AC1 6) chain A residue 240 type sequence S description BINDING SITE FOR RESIDUE NO3 A 268 source : AC1 7) chain A residue 241 type sequence L description BINDING SITE FOR RESIDUE NO3 A 268 source : AC1 8) chain A residue 15 type sequence H description BINDING SITE FOR RESIDUE BEN A 301 source : AC2 9) chain A residue 47 type sequence F description BINDING SITE FOR RESIDUE BEN A 301 source : AC2 10) chain A residue 169 type sequence S description BINDING SITE FOR RESIDUE BEN A 301 source : AC2 11) chain A residue 170 type sequence T description BINDING SITE FOR RESIDUE BEN A 301 source : AC2 12) chain A residue 203 type sequence V description BINDING SITE FOR RESIDUE BEN A 301 source : AC2 13) chain A residue 220 type sequence D description BINDING SITE FOR RESIDUE NO3 A 302 source : AC3 14) chain A residue 221 type sequence E description BINDING SITE FOR RESIDUE NO3 A 302 source : AC3 15) chain A residue 221 type sequence E description BINDING SITE FOR RESIDUE NO3 A 302 source : AC3 16) chain A residue 222 type sequence L description BINDING SITE FOR RESIDUE NO3 A 302 source : AC3 17) chain A residue 223 type sequence F description BINDING SITE FOR RESIDUE NO3 A 302 source : AC3 18) chain A residue 224 type sequence G description BINDING SITE FOR RESIDUE NO3 A 302 source : AC3

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