eF-site ID 2ipj-B PDB Code 2ipj Chain 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 B:  SKYQCVKLNDGHFMPVLGFGTAAPAEVPKSKALEAVKLAI EAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYT SKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSV KPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKS IGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKL LDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLC ALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQ VFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDE Y Description Functional site 1) chain B residue 276 type sequence R description BINDING SITE FOR RESIDUE SO4 B 324 source : AC1 2) chain B residue 91 type sequence R description BINDING SITE FOR RESIDUE SO4 B 325 source : AC3 3) chain B residue 91 type sequence R description BINDING SITE FOR RESIDUE SO4 B 325 source : AC3 4) chain B residue 91 type sequence R description BINDING SITE FOR RESIDUE SO4 B 325 source : AC3 5) chain B residue 22 type sequence G description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 6) chain B residue 23 type sequence T description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 7) chain B residue 24 type sequence A description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 8) chain B residue 50 type sequence D description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 9) chain B residue 55 type sequence Y description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 10) chain B residue 84 type sequence K description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 11) chain B residue 117 type sequence H description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 12) chain B residue 166 type sequence S description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 13) chain B residue 167 type sequence N description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 14) chain B residue 190 type sequence Q description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 15) chain B residue 216 type sequence Y description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 16) chain B residue 217 type sequence S description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 17) chain B residue 218 type sequence A description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 18) chain B residue 219 type sequence L description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 19) chain B residue 221 type sequence S description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 20) chain B residue 236 type sequence L description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 21) chain B residue 253 type sequence A description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 22) chain B residue 268 type sequence L description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 23) chain B residue 270 type sequence K description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 24) chain B residue 271 type sequence S description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 25) chain B residue 272 type sequence Y description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 26) chain B residue 276 type sequence R description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 27) chain B residue 279 type sequence Q description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 28) chain B residue 280 type sequence N description BINDING SITE FOR RESIDUE NAP B 2 source : AC5 29) chain B residue 54 type sequence V description BINDING SITE FOR RESIDUE FFA B 326 source : AC7 30) chain B residue 55 type sequence Y description BINDING SITE FOR RESIDUE FFA B 326 source : AC7 31) chain B residue 117 type sequence H description BINDING SITE FOR RESIDUE FFA B 326 source : AC7 32) chain B residue 227 type sequence W description BINDING SITE FOR RESIDUE FFA B 326 source : AC7 33) chain B residue 5 type sequence Y description BINDING SITE FOR RESIDUE BME B 327 source : AC9 34) chain B residue 7 type sequence C description BINDING SITE FOR RESIDUE BME B 327 source : AC9 35) chain B residue 15 type sequence F description BINDING SITE FOR RESIDUE BME B 327 source : AC9 36) chain B residue 290 type sequence S description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 37) chain B residue 11 type sequence N description BINDING SITE FOR RESIDUE EDO B 328 source : BC3 38) chain B residue 184 type sequence Y description BINDING SITE FOR RESIDUE EDO B 328 source : BC3 39) chain B residue 185 type sequence K description BINDING SITE FOR RESIDUE EDO B 328 source : BC3 40) chain B residue 109 type sequence D description BINDING SITE FOR RESIDUE EDO B 329 source : BC4 41) chain B residue 157 type sequence A description BINDING SITE FOR RESIDUE EDO B 329 source : BC4 42) chain B residue 158 type sequence G description BINDING SITE FOR RESIDUE EDO B 329 source : BC4 43) chain B residue 6 type sequence Q description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 44) chain B residue 17 type sequence P description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 45) chain B residue 18 type sequence V description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 46) chain B residue 19 type sequence L description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 47) chain B residue 45 type sequence G description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 48) chain B residue 47 type sequence H description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 49) chain B residue 284 type sequence F description BINDING SITE FOR RESIDUE EDO B 330 source : BC7 50) chain B residue 185 type sequence K description BINDING SITE FOR RESIDUE EDO B 331 source : BC8 51) chain B residue 208 type sequence S description BINDING SITE FOR RESIDUE EDO B 331 source : BC8 52) chain B residue 55 type ACT_SITE sequence Y description Proton donor source Swiss-Prot : SWS_FT_FI1 53) chain B residue 24 type BINDING sequence A description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI3 54) chain B residue 222 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI3 55) chain B residue 117 type BINDING sequence H description source Swiss-Prot : SWS_FT_FI4 56) chain B residue 227 type BINDING sequence W description source Swiss-Prot : SWS_FT_FI4 57) chain B residue 84 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000250 source Swiss-Prot : SWS_FT_FI5 58) 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 59) 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 60) 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 61) 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 62) 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 63) 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

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