eF-site ID 3cv6-AB PDB Code 3cv6 Chain A, B click to enlarge Title The crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase GG225.226PP mutant in complex with inhibitor and cofactor NADP+. Classification OXIDOREDUCTASE Compound Aldo-keto reductase family 1 member C21 Source (AK1CL_MOUSE) Sequence A:  MNSKCHCVILNDGNFIPVLGFGTALPLECPKSKAKELTKI AIDAGFHHFDSASVYNTEDHVGEAIRSKIADGTVRREDIF YTSKVWCTSLHPELVRASLERSLQKLQFDYVDLYLIHYPM ALKPGEENFPVDEHGKLIFDRVDLCATWEAMEKCKDAGLT KSIGVSNFNYRQLEMILNKPGLKYKPVCNQVECHPYLNQM KLLDFCKSKDIVLVAYGVLGTQRYPPWVDQNSPVLLDEPV LGSMAKKYNRTPALIALRYQLQRGIVVLNTSLKEERIKEN MQVFEFQLSSEDMKVLDGLNRNMRYIPAAIFKGHPNWPFL DEY B:  MNSKCHCVILNDGNFIPVLGFGTALPLECPKSKAKELTKI AIDAGFHHFDSASVYNTEDHVGEAIRSKIADGTVRREDIF YTSKVWCTSLHPELVRASLERSLQKLQFDYVDLYLIHYPM ALKPGEENFPVDEHGKLIFDRVDLCATWEAMEKCKDAGLT KSIGVSNFNYRQLEMILNKPGLKYKPVCNQVECHPYLNQM KLLDFCKSKDIVLVAYGVLGTQRYPPWVDQNSPVLLDEPV LGSMAKKYNRTPALIALRYQLQRGIVVLNTSLKEERIKEN MQVFEFQLSSEDMKVLDGLNRNMRYIPAAIFKGHPNWPFL DEY Description Functional site 1) chain A residue 22 type sequence G description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 2) chain A residue 23 type sequence T description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 3) chain A residue 24 type sequence A description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 4) chain A residue 50 type sequence D description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 5) chain A residue 55 type sequence Y description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 6) chain A residue 117 type sequence H description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 7) chain A residue 166 type sequence S description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 8) chain A residue 167 type sequence N description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 9) chain A residue 190 type sequence Q description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 10) chain A residue 216 type sequence Y description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 11) chain A residue 217 type sequence G description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 12) chain A residue 219 type sequence L description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 13) chain A residue 220 type sequence G description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 14) chain A residue 221 type sequence T description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 15) chain A residue 222 type sequence Q description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 16) chain A residue 224 type sequence Y description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 17) chain A residue 236 type sequence L description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 18) chain A residue 253 type sequence A description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 19) chain A residue 269 type sequence N description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 20) chain A residue 270 type sequence T description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 21) chain A residue 271 type sequence S description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 22) chain A residue 272 type sequence L description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 23) chain A residue 273 type sequence K description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 24) chain A residue 276 type sequence R description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 25) chain A residue 279 type sequence E description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 26) chain A residue 280 type sequence N description BINDING SITE FOR RESIDUE NAP A 350 source : AC1 27) chain B residue 22 type sequence G description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 28) chain B residue 23 type sequence T description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 29) chain B residue 24 type sequence A description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 30) chain B residue 50 type sequence D description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 31) chain B residue 55 type sequence Y description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 32) chain B residue 117 type sequence H description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 33) chain B residue 166 type sequence S description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 34) chain B residue 167 type sequence N description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 35) chain B residue 190 type sequence Q description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 36) chain B residue 216 type sequence Y description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 37) chain B residue 217 type sequence G description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 38) chain B residue 219 type sequence L description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 39) chain B residue 220 type sequence G description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 40) chain B residue 221 type sequence T description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 41) chain B residue 222 type sequence Q description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 42) chain B residue 224 type sequence Y description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 43) chain B residue 253 type sequence A description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 44) chain B residue 269 type sequence N description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 45) chain B residue 270 type sequence T description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 46) chain B residue 271 type sequence S description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 47) chain B residue 272 type sequence L description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 48) chain B residue 273 type sequence K description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 49) chain B residue 276 type sequence R description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 50) chain B residue 279 type sequence E description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 51) chain B residue 280 type sequence N description BINDING SITE FOR RESIDUE NAP B 350 source : AC2 52) chain A residue 24 type sequence A description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 53) chain A residue 25 type sequence L description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 54) chain A residue 27 type sequence L description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 55) chain A residue 31 type sequence K description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 56) chain A residue 55 type sequence Y description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 57) chain A residue 117 type sequence H description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 58) chain A residue 118 type sequence Y description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 59) chain A residue 224 type sequence Y description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 60) chain A residue 227 type sequence W description BINDING SITE FOR RESIDUE HXS A 351 source : AC3 61) chain B residue 24 type sequence A description BINDING SITE FOR RESIDUE HXS B 351 source : AC4 62) chain B residue 25 type sequence L description BINDING SITE FOR RESIDUE HXS B 351 source : AC4 63) chain B residue 31 type sequence K description BINDING SITE FOR RESIDUE HXS B 351 source : AC4 64) chain B residue 55 type sequence Y description BINDING SITE FOR RESIDUE HXS B 351 source : AC4 65) chain B residue 117 type sequence H description BINDING SITE FOR RESIDUE HXS B 351 source : AC4 66) chain B residue 118 type sequence Y description BINDING SITE FOR RESIDUE HXS B 351 source : AC4 67) chain B residue 224 type sequence Y description BINDING SITE FOR RESIDUE HXS B 351 source : AC4 68) chain B residue 227 type sequence W description BINDING SITE FOR RESIDUE HXS B 351 source : AC4 69) chain A residue 29 type sequence C description BINDING SITE FOR RESIDUE BME A 352 source : AC5 70) chain A residue 6 type sequence H description BINDING SITE FOR RESIDUE BME A 353 source : AC6 71) chain A residue 55 type ACT_SITE sequence Y description Proton donor source Swiss-Prot : SWS_FT_FI1 72) chain B residue 55 type ACT_SITE sequence Y description Proton donor source Swiss-Prot : SWS_FT_FI1 73) chain A residue 84 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000250 source Swiss-Prot : SWS_FT_FI4 74) chain B residue 84 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000250 source Swiss-Prot : SWS_FT_FI4 75) chain A residue 151-168 type prosite sequence MEKCKDAGLTKSIGVSNF description ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglTKSIGVSNF source prosite : PS00062 76) chain A residue 20 type BINDING sequence G description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 77) chain A residue 50 type BINDING sequence D description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 78) chain B residue 190 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 79) chain B residue 216 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 80) chain B residue 270 type BINDING sequence T description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 81) chain A residue 166 type BINDING sequence S description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 82) chain A residue 190 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 83) chain A residue 216 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 84) chain A residue 270 type BINDING sequence T description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 85) chain B residue 20 type BINDING sequence G description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 86) chain B residue 50 type BINDING sequence D description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 87) chain B residue 166 type BINDING sequence S description BINDING => ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17909281, ECO:0000269|PubMed:19237748 source Swiss-Prot : SWS_FT_FI2 88) chain A residue 31 type BINDING sequence K description source Swiss-Prot : SWS_FT_FI3 89) chain A residue 117 type BINDING sequence H description source Swiss-Prot : SWS_FT_FI3 90) chain B residue 31 type BINDING sequence K description source Swiss-Prot : SWS_FT_FI3 91) chain B residue 117 type BINDING sequence H description source Swiss-Prot : SWS_FT_FI3

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