eF-site ID 3h4g-A PDB Code 3h4g Chain A click to enlarge Title Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor Fidarestat: Implications for inhibitor binding and selectivity Classification OXIDOREDUCTASE Compound Alcohol dehydrogenase [NADP+] Source ORGANISM_COMMON: pigs; ORGANISM_SCIENTIFIC: Sus scrofa; Sequence A:  MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAIKYALTVG YRHIDCAAIYGNELEIGEALQETVGPGKAVPREELFVTSK LWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFER GDNPFPKNADGTIRYDATHYKDTWKALEALVAKGLVRALG LSNFSSRQIDDVLSVASVRPAVLQVECHPYLAQNELIAHC QARGLEVTAYSPLGSSDRAWRDPNEPVLLEEPVVQALAEK YNRSPAQILLRWQVQRKVICIPKSVTPSRILQNIQVFDFT FSPEEMKQLDALNKNLRFIVPMLTRVPRDAGHPLYPFNDP Description Functional site 1) chain A residue 251 type sequence R description BINDING SITE FOR RESIDUE SO4 A 361 source : AC1 2) chain A residue 277 type sequence F description BINDING SITE FOR RESIDUE SO4 A 361 source : AC1 3) chain A residue 20 type sequence G description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 4) chain A residue 21 type sequence T description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 5) chain A residue 22 type sequence W description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 6) chain A residue 45 type sequence D description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 7) chain A residue 50 type sequence Y description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 8) chain A residue 80 type sequence K description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 9) chain A residue 113 type sequence H description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 10) chain A residue 162 type sequence S description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 11) chain A residue 163 type sequence N description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 12) chain A residue 184 type sequence Q description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 13) chain A residue 210 type sequence Y description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 14) chain A residue 211 type sequence S description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 15) chain A residue 212 type sequence P description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 16) chain A residue 213 type sequence L description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 17) chain A residue 214 type sequence G description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 18) chain A residue 215 type sequence S description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 19) chain A residue 217 type sequence D description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 20) chain A residue 246 type sequence A description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 21) chain A residue 261 type sequence I description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 22) chain A residue 262 type sequence P description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 23) chain A residue 263 type sequence K description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 24) chain A residue 264 type sequence S description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 25) chain A residue 265 type sequence V description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 26) chain A residue 266 type sequence T description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 27) chain A residue 269 type sequence R description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 28) chain A residue 272 type sequence Q description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 29) chain A residue 273 type sequence N description BINDING SITE FOR RESIDUE NAP A 2350 source : AC2 30) chain A residue 22 type sequence W description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 31) chain A residue 49 type sequence I description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 32) chain A residue 50 type sequence Y description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 33) chain A residue 113 type sequence H description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 34) chain A residue 114 type sequence W description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 35) chain A residue 220 type sequence W description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 36) chain A residue 299 type sequence I description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 37) chain A residue 300 type sequence V description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 38) chain A residue 301 type sequence P description BINDING SITE FOR RESIDUE FID A 2401 source : AC3 39) chain A residue 211 type MOD_RES sequence S description Phosphoserine => ECO:0000250|UniProtKB:P14550 source Swiss-Prot : SWS_FT_FI10 40) chain A residue 50 type ACT_SITE sequence Y description Proton donor => ECO:0000269|PubMed:7552731 source Swiss-Prot : SWS_FT_FI1 41) chain A residue 11 type BINDING sequence G description BINDING => ECO:0000255 source Swiss-Prot : SWS_FT_FI2 42) chain A residue 21 type BINDING sequence T description BINDING => ECO:0000250|UniProtKB:O60218 source Swiss-Prot : SWS_FT_FI3 43) chain A residue 45 type BINDING sequence D description BINDING => ECO:0000250|UniProtKB:O60218 source Swiss-Prot : SWS_FT_FI3 44) chain A residue 162 type BINDING sequence S description BINDING => ECO:0000250|UniProtKB:O60218 source Swiss-Prot : SWS_FT_FI3 45) chain A residue 184 type BINDING sequence Q description BINDING => ECO:0000250|UniProtKB:O60218 source Swiss-Prot : SWS_FT_FI3 46) chain A residue 113 type BINDING sequence H description BINDING => ECO:0000269|PubMed:7552731 source Swiss-Prot : SWS_FT_FI4 47) chain A residue 211 type BINDING sequence S description BINDING => ECO:0000269|PubMed:7552731 source Swiss-Prot : SWS_FT_FI4 48) chain A residue 80 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000250|UniProtKB:P14550 source Swiss-Prot : SWS_FT_FI5 49) chain A residue 2 type MOD_RES sequence A description N-acetylalanine => ECO:0000250|UniProtKB:P14550 source Swiss-Prot : SWS_FT_FI6 50) chain A residue 147-164 type prosite sequence LEALVAKGLVRALGLSNF description ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. LealvakglVRALGLSNF source prosite : PS00062 51) chain A residue 261-276 type prosite sequence IPKSVTPSRILQNIQV description ALDOKETO_REDUCTASE_3 Aldo/keto reductase family putative active site signature. IPKSVTpsRIlQNiQV source prosite : PS00063 52) chain A residue 40-57 type prosite sequence GYRHIDCAAIYGNELEIG description ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GYRHIDCAaiygnEleIG source prosite : PS00798 53) chain A residue 4 type MOD_RES sequence S description Phosphoserine => ECO:0000250|UniProtKB:P51635 source Swiss-Prot : SWS_FT_FI7 54) chain A residue 127 type MOD_RES sequence K description N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q9JII6 source Swiss-Prot : SWS_FT_FI8 55) chain A residue 145 type MOD_RES sequence K description N6-succinyllysine => ECO:0000250|UniProtKB:Q9JII6 source Swiss-Prot : SWS_FT_FI9

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