eF-site ID 2ipj-A PDB Code 2ipj Chain A 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 Description Functional site 1) chain A residue 96 type sequence R description BINDING SITE FOR RESIDUE SO4 B 324 source : AC1 2) chain A residue 39 type sequence K description BINDING SITE FOR RESIDUE SO4 A 324 source : AC2 3) chain A residue 39 type sequence K description BINDING SITE FOR RESIDUE SO4 A 324 source : AC2 4) chain A residue 43 type sequence E description BINDING SITE FOR RESIDUE SO4 A 324 source : AC2 5) chain A residue 68 type sequence K description BINDING SITE FOR RESIDUE SO4 A 324 source : AC2 6) chain A residue 22 type sequence G description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 7) chain A residue 23 type sequence T description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 8) chain A residue 24 type sequence A description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 9) chain A residue 50 type sequence D description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 10) chain A residue 55 type sequence Y description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 11) chain A residue 84 type sequence K description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 12) chain A residue 117 type sequence H description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 13) chain A residue 166 type sequence S description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 14) chain A residue 167 type sequence N description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 15) chain A residue 190 type sequence Q description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 16) chain A residue 216 type sequence Y description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 17) chain A residue 217 type sequence S description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 18) chain A residue 218 type sequence A description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 19) chain A residue 219 type sequence L description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 20) chain A residue 220 type sequence G description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 21) chain A residue 221 type sequence S description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 22) chain A residue 236 type sequence L description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 23) chain A residue 253 type sequence A description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 24) chain A residue 268 type sequence L description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 25) chain A residue 270 type sequence K description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 26) chain A residue 271 type sequence S description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 27) chain A residue 272 type sequence Y description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 28) chain A residue 276 type sequence R description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 29) chain A residue 279 type sequence Q description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 30) chain A residue 280 type sequence N description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 31) chain A residue 306 type sequence L description BINDING SITE FOR RESIDUE NAP A 1 source : AC4 32) chain A residue 54 type sequence V description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 33) chain A residue 55 type sequence Y description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 34) chain A residue 117 type sequence H description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 35) chain A residue 227 type sequence W description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 36) chain A residue 308 type sequence L description BINDING SITE FOR RESIDUE FFA A 325 source : AC6 37) chain A residue 3 type sequence S description BINDING SITE FOR RESIDUE BME A 326 source : AC8 38) chain A residue 4 type sequence K description BINDING SITE FOR RESIDUE BME A 326 source : AC8 39) chain A residue 5 type sequence Y description BINDING SITE FOR RESIDUE BME A 326 source : AC8 40) chain A residue 7 type sequence C description BINDING SITE FOR RESIDUE BME A 326 source : AC8 41) chain A residue 4 type sequence K description BINDING SITE FOR RESIDUE BME B 327 source : AC9 42) chain A residue 242 type sequence C description BINDING SITE FOR RESIDUE BME A 327 source : BC1 43) chain A residue 252 type sequence P description BINDING SITE FOR RESIDUE BME A 327 source : BC1 44) chain A residue 203 type sequence L description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 45) chain A residue 204 type sequence D description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 46) chain A residue 207 type sequence K description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 47) chain A residue 263 type sequence R description BINDING SITE FOR RESIDUE EDO A 328 source : BC2 48) chain A residue 11 type sequence N description BINDING SITE FOR RESIDUE EDO A 329 source : BC5 49) chain A residue 12 type sequence D description BINDING SITE FOR RESIDUE EDO A 329 source : BC5 50) chain A residue 184 type sequence Y description BINDING SITE FOR RESIDUE EDO A 329 source : BC5 51) chain A residue 185 type sequence K description BINDING SITE FOR RESIDUE EDO A 329 source : BC5 52) chain A residue 6 type sequence Q description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 53) chain A residue 17 type sequence P description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 54) chain A residue 18 type sequence V description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 55) chain A residue 19 type sequence L description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 56) chain A residue 45 type sequence G description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 57) chain A residue 47 type sequence H description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 58) chain A residue 284 type sequence F description BINDING SITE FOR RESIDUE EDO A 330 source : BC6 59) chain A residue 55 type ACT_SITE sequence Y description Proton donor source Swiss-Prot : SWS_FT_FI1 60) chain A residue 222 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI3 61) chain A residue 24 type BINDING sequence A description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI3 62) chain A residue 117 type BINDING sequence H description source Swiss-Prot : SWS_FT_FI4 63) chain A residue 227 type BINDING sequence W description source Swiss-Prot : SWS_FT_FI4 64) chain A residue 84 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000250 source Swiss-Prot : SWS_FT_FI5 65) chain A residue 151-168 type prosite sequence MEKCKDAGLAKSIGVSNF description ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglAKSIGVSNF source prosite : PS00062 66) 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 67) 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 68) 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 69) 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 70) 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 71) 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 72) 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

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