eF-site ID 3puh-B PDB Code 3puh Chain B click to enlarge Title Cocaine Esterase, wild-type biologically active dimer Classification HYDROLASE Compound Cocaine esterase Source Rhodococcus sp. (strain MB1 Bresler) (COCE_RHOSM) Sequence B:  MVDGNYSVASNVMVPMRDGVRLAVDLYRPDADGPVPVLLV RNPYDKFDVFAWSTQSTNWLEFVRDGYAVVIQDTRGLFAS EGEFVPHVDDEADAEDTLSWILEQAWCDGNVGMFGVSYLG VTQWQAAVSGVGGLKAIAPSMASADLYRAPWYGPGGALSV EALLGWSALIGTGLITSRSDARPEDAADFVQLAAILNDVA GAASVTPLAEQPLLGRLIPWVIDQVVDHPDNDESWQSISL FERLGGLATPALITAGWYDGFVGESLRTFVAVKDNADARL VVGPWSHSNLTGRNADRKFGIAATYPIQEATTMHKAFFDR HLRGETDALAGVPKVRLFVMGIDEWRDETDWPLPDTAYTP FYLGGSGAANTSTGGGTLSTSISGTESADTYLYDPADPVP SLGGTLLFHNGDNGPADQRPIHDRDDVLCYSTEVLTDPVE VTGTVSARLFVSSSAVDTDFTAKLVDVFPDGRAIALCDGI VRMRYRETLVNPTLIEAGEIYEVAIDMLATSNVFLPGHRI MVQVSSSNFPKYDRNSNTGGVIAREQLEEMCTAVNRIHRG PEHPSHIVLPIIKR Description Functional site 1) chain B residue 293 type sequence R description BINDING SITE FOR RESIDUE GOL A 588 source : AC1 2) chain B residue 298 type sequence K description BINDING SITE FOR RESIDUE GOL A 588 source : AC1 3) chain B residue 452 type sequence S description BINDING SITE FOR RESIDUE GOL A 589 source : AC2 4) chain B residue 454 type sequence S description BINDING SITE FOR RESIDUE GOL A 589 source : AC2 5) chain B residue 554 type sequence V description BINDING SITE FOR RESIDUE GOL A 589 source : AC2 6) chain B residue 103 type sequence E description BINDING SITE FOR RESIDUE SO4 A 590 source : AC3 7) chain B residue 296 type sequence D description BINDING SITE FOR RESIDUE SO4 A 591 source : AC4 8) chain B residue 196 type sequence L description BINDING SITE FOR RESIDUE GOL B 588 source : AC6 9) chain B residue 199 type sequence V description BINDING SITE FOR RESIDUE GOL B 588 source : AC6 10) chain B residue 408 type sequence F description BINDING SITE FOR RESIDUE GOL B 588 source : AC6 11) chain B residue 409 type sequence H description BINDING SITE FOR RESIDUE GOL B 588 source : AC6 12) chain B residue 410 type sequence N description BINDING SITE FOR RESIDUE GOL B 588 source : AC6 13) chain B residue 65 type sequence D description BINDING SITE FOR RESIDUE SO4 B 589 source : AC7 14) chain B residue 319 type sequence D description BINDING SITE FOR RESIDUE SO4 B 589 source : AC7 15) chain B residue 325 type sequence E description BINDING SITE FOR RESIDUE SO4 B 589 source : AC7 16) chain B residue 44 type catalytic sequence Y description 465 source MCSA : MCSA2 17) chain B residue 117 type catalytic sequence S description 465 source MCSA : MCSA2 18) chain B residue 118 type catalytic sequence Y description 465 source MCSA : MCSA2 19) chain B residue 166 type catalytic sequence W description 465 source MCSA : MCSA2 20) chain B residue 259 type catalytic sequence D description 465 source MCSA : MCSA2 21) chain B residue 287 type catalytic sequence H description 465 source MCSA : MCSA2 22) chain B residue 44 type BINDING sequence Y description source Swiss-Prot : SWS_FT_FI3 23) chain B residue 118 type BINDING sequence Y description source Swiss-Prot : SWS_FT_FI3 24) chain B residue 117 type ACT_SITE sequence S description Acyl-ester intermediate => ECO:0000269|PubMed:11742345 source Swiss-Prot : SWS_FT_FI1 25) chain B residue 259 type ACT_SITE sequence D description Charge relay system => ECO:0000269|PubMed:11742345 source Swiss-Prot : SWS_FT_FI2 26) chain B residue 287 type ACT_SITE sequence H description Charge relay system => ECO:0000269|PubMed:11742345 source Swiss-Prot : SWS_FT_FI2 27) chain B residue 44 type SITE sequence Y description Probably involved in activating the substrate carbonyl and the acyl enzyme for hydrolysis source Swiss-Prot : SWS_FT_FI4

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