eF-site ID 1fmc-AB PDB Code 1fmc Chain A, B click to enlarge Title 7-ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEX WITH NADH AND 7-OXO GLYCOCHENODEOXYCHOLIC ACID Classification OXIDOREDUCTASE Compound 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE Source Escherichia coli (strain K12) (HDHA_ECOLI) Sequence A:  MFNSDNLRLDGKCAIITGAGAGIGKEIAITFATAGASVVV SDINADAANHVVDEIQQLGGQAFACRCDITSEQELSALAD FAISKLGKVDILVNNAGGGGPKPFDMPMADFRRAYELNVF SFFHLSQLVAPEMEKNGGGVILTITSMAAENKNINMTSYA SSKAAASHLVRNMAFDLGEKNIRVNGIAPGAILTDALKSV ITPEIEQKMLQHTPIRRLGQPQDIANAALFLCSPAASWVS GQILTVSGGGVQELN B:  MFNSDNLRLDGKCAIITGAGAGIGKEIAITFATAGASVVV SDINADAANHVVDEIQQLGGQAFACRCDITSEQELSALAD FAISKLGKVDILVNNAGGGGPKPFDMPMADFRRAYELNVF SFFHLSQLVAPEMEKNGGGVILTITSMAAENKNINMTSYA SSKAAASHLVRNMAFDLGEKNIRVNGIAPGAILTDALKSV ITPEIEQKMLQHTPIRRLGQPQDIANAALFLCSPAASWVS GQILTVSGGGVQELN Description Functional site 1) chain A residue 98 type sequence G description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 2) chain A residue 99 type sequence G description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 3) chain A residue 146 type sequence S description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 4) chain A residue 148 type sequence A description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 5) chain A residue 151 type sequence N description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 6) chain A residue 159 type sequence Y description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 7) chain A residue 196 type sequence A description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 8) chain A residue 197 type sequence L description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 9) chain A residue 252 type sequence Q description BINDING SITE FOR RESIDUE CHO A 301 source : AC1 10) chain A residue 18 type sequence G description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 11) chain A residue 20 type sequence G description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 12) chain A residue 21 type sequence A description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 13) chain A residue 23 type sequence I description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 14) chain A residue 42 type sequence D description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 15) chain A residue 43 type sequence I description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 16) chain A residue 67 type sequence C description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 17) chain A residue 68 type sequence D description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 18) chain A residue 69 type sequence I description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 19) chain A residue 95 type sequence N description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 20) chain A residue 97 type sequence G description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 21) chain A residue 144 type sequence I description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 22) chain A residue 145 type sequence T description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 23) chain A residue 159 type sequence Y description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 24) chain A residue 163 type sequence K description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 25) chain A residue 189 type sequence P description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 26) chain A residue 190 type sequence G description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 27) chain A residue 192 type sequence I description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 28) chain A residue 194 type sequence T description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 29) chain A residue 196 type sequence A description BINDING SITE FOR RESIDUE NAI A 302 source : AC2 30) chain B residue 98 type sequence G description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 31) chain B residue 99 type sequence G description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 32) chain B residue 146 type sequence S description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 33) chain B residue 148 type sequence A description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 34) chain B residue 151 type sequence N description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 35) chain B residue 156 type sequence M description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 36) chain B residue 159 type sequence Y description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 37) chain B residue 190 type sequence G description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 38) chain B residue 197 type sequence L description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 39) chain B residue 252 type sequence Q description BINDING SITE FOR RESIDUE CHO B 301 source : AC3 40) chain B residue 18 type sequence G description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 41) chain B residue 21 type sequence A description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 42) chain B residue 22 type sequence G description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 43) chain B residue 23 type sequence I description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 44) chain B residue 42 type sequence D description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 45) chain B residue 43 type sequence I description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 46) chain B residue 67 type sequence C description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 47) chain B residue 68 type sequence D description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 48) chain B residue 69 type sequence I description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 49) chain B residue 95 type sequence N description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 50) chain B residue 97 type sequence G description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 51) chain B residue 144 type sequence I description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 52) chain B residue 145 type sequence T description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 53) chain B residue 159 type sequence Y description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 54) chain B residue 163 type sequence K description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 55) chain B residue 189 type sequence P description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 56) chain B residue 190 type sequence G description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 57) chain B residue 192 type sequence I description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 58) chain B residue 194 type sequence T description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 59) chain B residue 196 type sequence A description BINDING SITE FOR RESIDUE NAI B 302 source : AC4 60) chain A residue 146-174 type prosite sequence SMAAENKNINMTSYASSKAAASHLVRNMA description ADH_SHORT Short-chain dehydrogenases/reductases family signature. SmaaenkninMtsYASSKAAAsHLVrNMA source prosite : PS00061 61) chain A residue 159 type ACT_SITE sequence Y description Proton acceptor => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 source Swiss-Prot : SWS_FT_FI1 62) chain B residue 159 type ACT_SITE sequence Y description Proton acceptor => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 source Swiss-Prot : SWS_FT_FI1 63) chain A residue 23 type BINDING sequence I description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 64) chain B residue 159 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 65) chain A residue 99 type BINDING sequence G description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 66) chain A residue 146 type BINDING sequence S description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 67) chain A residue 151 type BINDING sequence N description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 68) chain A residue 159 type BINDING sequence Y description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 69) chain B residue 23 type BINDING sequence I description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 70) chain B residue 99 type BINDING sequence G description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 71) chain B residue 146 type BINDING sequence S description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 72) chain B residue 151 type BINDING sequence N description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI2 73) chain A residue 42 type BINDING sequence D description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 74) chain B residue 192 type BINDING sequence I description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 75) chain A residue 68 type BINDING sequence D description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 76) chain A residue 95 type BINDING sequence N description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 77) chain A residue 163 type BINDING sequence K description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 78) chain A residue 192 type BINDING sequence I description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 79) chain B residue 42 type BINDING sequence D description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 80) chain B residue 68 type BINDING sequence D description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 81) chain B residue 95 type BINDING sequence N description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 82) chain B residue 163 type BINDING sequence K description BINDING => ECO:0000269|PubMed:8672472, ECO:0007744|PDB:1AHH, ECO:0007744|PDB:1AHI, ECO:0007744|PDB:1FMC source Swiss-Prot : SWS_FT_FI3 83) chain A residue 146 type SITE sequence S description Transition state stabilizer => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 source Swiss-Prot : SWS_FT_FI4 84) chain B residue 146 type SITE sequence S description Transition state stabilizer => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 source Swiss-Prot : SWS_FT_FI4 85) chain A residue 163 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 source Swiss-Prot : SWS_FT_FI5 86) chain B residue 163 type SITE sequence K description Lowers pKa of active site Tyr => ECO:0000305|PubMed:8672472, ECO:0000305|PubMed:9722677 source Swiss-Prot : SWS_FT_FI5

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