eF-site ID 3q2d-AB PDB Code 3q2d Chain A, B click to enlarge Title Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution Classification LYASE Compound Deoxyribose phosphate aldolase Source (3Q2D) Sequence A:  TDLKASSLRALKLMHLATSDTDENVIALCHQAKTPVGNTD AIFIYPRFIPIARKTLKEQGTPEIRICTSTNFPHGNDDID IALAETRAAIAYGADSVAVVFPYRALMAGNEQVGFDLVKA CKEACAAANVLLAVIIETGELKDEALIRKASEISIKAGAD NIVTSTGKVAVGATPESARIMMEVIRDMGVEKTVGFIPVG GVRTAEDAQKYLAIADELFGADWADARHYAFGASASLLAS LLKALG B:  TDENVIALCHQAKTPVGNTDAIFIYPRFIPIARKTLKEQG TPEIRICTSTNFPHGNDDIDIALAETRAAIAYGADSVAVV FPYRALMAGNEQVGFDLVKACKEACAAANVLLAVIIETGE LKDEALIRKASEISIKAGADNIVTSTGKVAVGATPESARI MMEVIRDMGVEKTVGFIPVGGVRTAEDAQKYLAIADELFG ADWADARHYAFGASASLLASLLKALGH Description Functional site 1) chain A residue 17 type sequence H description BINDING SITE FOR RESIDUE 3NY A 273 source : AC1 2) chain A residue 49 type sequence F description BINDING SITE FOR RESIDUE 3NY A 273 source : AC1 3) chain A residue 102 type sequence S description BINDING SITE FOR RESIDUE 3NY A 273 source : AC1 4) chain A residue 104 type sequence A description BINDING SITE FOR RESIDUE 3NY A 273 source : AC1 5) chain A residue 139 type sequence A description BINDING SITE FOR RESIDUE 3NY A 273 source : AC1 6) chain A residue 203 type sequence I description BINDING SITE FOR RESIDUE 3NY A 273 source : AC1 7) chain A residue 205 type sequence V description BINDING SITE FOR RESIDUE 3NY A 273 source : AC1 8) chain A residue 238 type sequence G description BINDING SITE FOR RESIDUE 3NY A 273 source : AC1 9) chain B residue 49 type sequence F description BINDING SITE FOR RESIDUE 3NY B 273 source : AC2 10) chain B residue 73 type sequence C description BINDING SITE FOR RESIDUE 3NY B 273 source : AC2 11) chain B residue 104 type sequence A description BINDING SITE FOR RESIDUE 3NY B 273 source : AC2 12) chain B residue 139 type sequence A description BINDING SITE FOR RESIDUE 3NY B 273 source : AC2 13) chain B residue 203 type sequence I description BINDING SITE FOR RESIDUE 3NY B 273 source : AC2 14) chain B residue 205 type sequence V description BINDING SITE FOR RESIDUE 3NY B 273 source : AC2

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