eF-site ID 2ipj-AB PDB Code 2ipj Chain A, B click to enlarge Title Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone Classification OXIDOREDUCTASE Compound Aldo-keto reductase family 1 member C2 Source Homo sapiens (Human) (AK1C2_HUMAN) Sequence A:  SKYQCVKLNDGHFMPVLGFGTAAPAEVPKSKALEAVKLAI EAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYT SKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSV KPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKS IGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKL LDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLC ALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQ VFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDE Y B:  SKYQCVKLNDGHFMPVLGFGTAAPAEVPKSKALEAVKLAI EAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYT SKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSV KPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKS IGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKL LDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLC ALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQ VFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDE Y Description Functional site 1) chain A residue 96 type sequence R description BINDING SITE FOR RESIDUE SO4 B 324 source : AC1 2) chain B residue 276 type sequence R description BINDING SITE FOR RESIDUE SO4 B 324 source : AC1 3) chain A residue 39 type sequence K description BINDING SITE FOR RESIDUE SO4 A 324 source : AC2 4) chain A residue 39 type sequence K description BINDING SITE FOR RESIDUE SO4 A 324 source : AC2 5) chain A residue 43 type sequence E description BINDING SITE FOR RESIDUE SO4 A 324 source : AC2 6) chain A residue 68 type sequence K description BINDING SITE FOR RESIDUE SO4 A 324 source : AC2 7) chain B residue 91 type sequence R description BINDING SITE FOR RESIDUE SO4 B 325 source : AC3 8) chain B residue 91 type sequence R description BINDING SITE FOR RESIDUE SO4 B 325 source : AC3 9) chain B residue 91 type sequence R description BINDING SITE FOR RESIDUE SO4 B 325 source : AC3 10) chain A residue 22 type sequence G description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 11) chain A residue 23 type sequence T description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 12) chain A residue 24 type sequence A description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 13) chain A residue 50 type sequence D description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 14) chain A residue 55 type sequence Y description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 15) chain A residue 84 type sequence K description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 16) chain A residue 117 type sequence H description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 17) chain A residue 166 type sequence S description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 18) chain A residue 167 type sequence N description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 19) chain A residue 190 type sequence Q description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 20) chain A residue 216 type sequence Y description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 21) chain A residue 217 type sequence S description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 22) chain A residue 218 type sequence A description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 23) chain A residue 219 type sequence L description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 24) chain A residue 220 type sequence G description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 25) chain A residue 221 type sequence S description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 26) chain A residue 236 type sequence L description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 27) chain A residue 253 type sequence A description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 28) chain A residue 268 type sequence L description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 29) chain A residue 270 type sequence K description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 30) chain A residue 271 type sequence S description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 31) chain A residue 272 type sequence Y description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 32) chain A residue 276 type sequence R description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 33) chain A residue 279 type sequence Q description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 34) chain A residue 280 type sequence N description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 35) chain A residue 306 type sequence L description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 36) chain B residue 22 type sequence G description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 37) chain B residue 23 type sequence T description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 38) chain B residue 24 type sequence A description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 39) chain B residue 50 type sequence D description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 40) chain B residue 55 type sequence Y description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 41) chain B residue 84 type sequence K description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 42) chain B residue 117 type sequence H description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 43) chain B residue 166 type sequence S description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 44) chain B residue 167 type sequence N description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 45) chain B residue 190 type sequence Q description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 46) chain B residue 216 type sequence Y description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 47) chain B residue 217 type sequence S description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 48) chain B residue 218 type sequence A description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 49) chain B residue 219 type sequence L description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 50) chain B residue 221 type sequence S description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 51) chain B residue 236 type sequence L description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 52) chain B residue 253 type sequence A description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 53) chain B residue 268 type sequence L description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 54) chain B residue 270 type sequence K description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 55) chain B residue 271 type sequence S description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 56) chain B residue 272 type sequence Y description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 57) chain B residue 276 type sequence R description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 58) chain B residue 279 type sequence Q description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 59) chain B residue 280 type sequence N description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 60) chain A residue 54 type sequence V description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 61) chain A residue 55 type sequence Y description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 62) chain A residue 117 type sequence H description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 63) chain A residue 227 type sequence W description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 64) chain A residue 308 type sequence L description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 65) chain B residue 54 type sequence V description BINDING SITE FOR RESIDUE FFA B 326 source : AC7 66) chain B residue 55 type sequence Y description BINDING SITE FOR RESIDUE FFA B 326 source : AC7 67) chain B residue 117 type sequence H description BINDING SITE FOR RESIDUE FFA B 326 source : AC7 68) chain B residue 227 type sequence W description BINDING SITE FOR RESIDUE FFA B 326 source : AC7 69) chain A residue 3 type sequence S description BINDING SITE FOR RESIDUE BME A 326 source : AC8 70) chain A residue 4 type sequence K description BINDING SITE FOR RESIDUE BME A 326 source : AC8 71) chain A residue 5 type sequence Y description BINDING SITE FOR RESIDUE BME A 326 source : AC8 72) chain A residue 7 type sequence C description BINDING SITE FOR RESIDUE BME A 326 source : AC8 73) chain A residue 4 type sequence K description BINDING SITE FOR RESIDUE BME B 327 source : AC9 74) chain B residue 5 type sequence Y description BINDING SITE FOR RESIDUE BME B 327 source : AC9 75) chain B residue 7 type sequence C description BINDING SITE FOR RESIDUE BME B 327 source : AC9 76) chain B residue 15 type sequence F description BINDING SITE FOR RESIDUE BME B 327 source : AC9 77) chain A residue 242 type sequence C description BINDING SITE FOR RESIDUE BME A 327 source : BC1 78) chain A residue 252 type sequence P description BINDING SITE FOR RESIDUE BME A 327 source : BC1 79) chain A residue 203 type sequence L description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 80) chain A residue 204 type sequence D description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 81) chain A residue 207 type sequence K description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 82) chain A residue 263 type sequence R description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 83) chain B residue 290 type sequence S description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 84) chain B residue 11 type sequence N description BINDING SITE FOR RESIDUE EDO B 328 source : BC3 85) chain B residue 184 type sequence Y description BINDING SITE FOR RESIDUE EDO B 328 source : BC3 86) chain B residue 185 type sequence K description BINDING SITE FOR RESIDUE EDO B 328 source : BC3 87) chain B residue 109 type sequence D description BINDING SITE FOR RESIDUE EDO B 329 source : BC4 88) chain B residue 157 type sequence A description BINDING SITE FOR RESIDUE EDO B 329 source : BC4 89) chain B residue 158 type sequence G description BINDING SITE FOR RESIDUE EDO B 329 source : BC4 90) chain A residue 11 type sequence N description BINDING SITE FOR RESIDUE EDO A 329 source : BC5 91) chain A residue 12 type sequence D description BINDING SITE FOR RESIDUE EDO A 329 source : BC5 92) chain A residue 184 type sequence Y description BINDING SITE FOR RESIDUE EDO A 329 source : BC5 93) chain A residue 185 type sequence K description BINDING SITE FOR RESIDUE EDO A 329 source : BC5 94) chain A residue 6 type sequence Q description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 95) chain A residue 17 type sequence P description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 96) chain A residue 18 type sequence V description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 97) chain A residue 19 type sequence L description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 98) chain A residue 45 type sequence G description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 99) chain A residue 47 type sequence H description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 100) chain A residue 284 type sequence F description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 101) chain B residue 6 type sequence Q description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 102) chain B residue 17 type sequence P description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 103) chain B residue 18 type sequence V description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 104) chain B residue 19 type sequence L description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 105) chain B residue 45 type sequence G description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 106) chain B residue 47 type sequence H description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 107) chain B residue 284 type sequence F description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 108) chain B residue 185 type sequence K description BINDING SITE FOR RESIDUE EDO B 331 source : BC8 109) chain B residue 208 type sequence S description BINDING SITE FOR RESIDUE EDO B 331 source : BC8 110) chain A residue 55 type ACT_SITE sequence Y description Proton donor source Swiss-Prot : SWS_FT_FI1 111) chain B residue 55 type ACT_SITE sequence Y description Proton donor source Swiss-Prot : SWS_FT_FI1 112) chain A residue 24 type BINDING sequence A description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI3 113) chain A residue 222 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI3 114) chain B residue 24 type BINDING sequence A description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI3 115) chain B residue 222 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI3 116) chain A residue 117 type BINDING sequence H description source Swiss-Prot : SWS_FT_FI4 117) chain A residue 227 type BINDING sequence W description source Swiss-Prot : SWS_FT_FI4 118) chain B residue 117 type BINDING sequence H description source Swiss-Prot : SWS_FT_FI4 119) chain B residue 227 type BINDING sequence W description source Swiss-Prot : SWS_FT_FI4 120) chain A residue 20 type BINDING sequence G description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 121) chain B residue 190 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 122) chain B residue 216 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 123) chain B residue 270 type BINDING sequence K description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 124) chain A residue 50 type BINDING sequence D description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 125) chain A residue 166 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 126) chain A residue 190 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 127) chain A residue 216 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 128) chain A residue 270 type BINDING sequence K description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 129) chain B residue 20 type BINDING sequence G description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 130) chain B residue 50 type BINDING sequence D description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 131) chain B residue 166 type BINDING sequence S description BINDING => ECO:0000269|PubMed:11513593, ECO:0000269|PubMed:11514561, ECO:0000269|PubMed:15929998, ECO:0000269|PubMed:17034817, ECO:0000269|PubMed:17442338 source Swiss-Prot : SWS_FT_FI2 132) chain A residue 84 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000250 source Swiss-Prot : SWS_FT_FI5 133) chain B residue 84 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000250 source Swiss-Prot : SWS_FT_FI5 134) chain A residue 151-168 type prosite sequence MEKCKDAGLAKSIGVSNF description ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglAKSIGVSNF source prosite : PS00062 135) chain A residue 268-283 type prosite sequence LAKSYNEQRIRQNVQV description ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. LAKSYNeqRIrQNvQV source prosite : PS00063

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