eF-site ID 1xjb-AB
PDB Code 1xjb
Chain A, B

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Title Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H), citrate and acetate molecules
Classification OXIDOREDUCTASE
Compound Aldo-keto reductase family 1 member C2
Source (AK1C2_HUMAN)
Sequence A:  SVDDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAV
KLAIEAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKRED
IFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHF
PVSVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAG
LAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFN
QRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLED
PVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIR
QNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYP
FSDEY
B:  DSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLA
IEAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFY
TSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVS
VKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAK
SIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRK
LLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVL
CALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNV
QVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSD
EY
Description


Functional site
1) chain A
residue 6
type
sequence Q
description BINDING SITE FOR RESIDUE ACT A 1002
source : AC1
2) chain A
residue 17
type
sequence P
description BINDING SITE FOR RESIDUE ACT A 1002
source : AC1
3) chain A
residue 18
type
sequence V
description BINDING SITE FOR RESIDUE ACT A 1002
source : AC1
4) chain A
residue 19
type
sequence L
description BINDING SITE FOR RESIDUE ACT A 1002
source : AC1
5) chain A
residue 45
type
sequence G
description BINDING SITE FOR RESIDUE ACT A 1002
source : AC1
6) chain A
residue 47
type
sequence H
description BINDING SITE FOR RESIDUE ACT A 1002
source : AC1
7) chain A
residue 284
type
sequence F
description BINDING SITE FOR RESIDUE ACT A 1002
source : AC1
8) chain A
residue 55
type
sequence Y
description BINDING SITE FOR RESIDUE ACT A 5002
source : AC2
9) chain A
residue 117
type
sequence H
description BINDING SITE FOR RESIDUE ACT A 5002
source : AC2
10) chain B
residue 55
type
sequence Y
description BINDING SITE FOR RESIDUE ACT B 6002
source : AC3
11) chain B
residue 117
type
sequence H
description BINDING SITE FOR RESIDUE ACT B 6002
source : AC3
12) chain A
residue 96
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 1004
source : AC4
13) chain B
residue 276
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 1004
source : AC4
14) chain B
residue 91
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 5004
source : AC5
15) chain B
residue 91
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 5004
source : AC5
16) chain B
residue 91
type
sequence R
description BINDING SITE FOR RESIDUE SO4 B 5004
source : AC5
17) chain A
residue 22
type
sequence G
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
18) chain A
residue 23
type
sequence T
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
19) chain A
residue 24
type
sequence Y
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
20) chain A
residue 50
type
sequence D
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
21) chain A
residue 55
type
sequence Y
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
22) chain A
residue 84
type
sequence K
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
23) chain A
residue 117
type
sequence H
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
24) chain A
residue 166
type
sequence S
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
25) chain A
residue 167
type
sequence N
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
26) chain A
residue 190
type
sequence Q
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
27) chain A
residue 216
type
sequence Y
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
28) chain A
residue 217
type
sequence S
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
29) chain A
residue 218
type
sequence A
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
30) chain A
residue 219
type
sequence L
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
31) chain A
residue 220
type
sequence G
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
32) chain A
residue 221
type
sequence S
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
33) chain A
residue 222
type
sequence H
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
34) chain A
residue 236
type
sequence L
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
35) chain A
residue 253
type
sequence A
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
36) chain A
residue 268
type
sequence L
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
37) chain A
residue 269
type
sequence A
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
38) chain A
residue 270
type
sequence K
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
39) chain A
residue 271
type
sequence S
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
40) chain A
residue 272
type
sequence Y
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
41) chain A
residue 276
type
sequence R
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
42) chain A
residue 279
type
sequence Q
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
43) chain A
residue 280
type
sequence N
description BINDING SITE FOR RESIDUE NAP A 1001
source : AC6
44) chain B
residue 22
type
sequence G
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
45) chain B
residue 23
type
sequence T
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
46) chain B
residue 24
type
sequence Y
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
47) chain B
residue 50
type
sequence D
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
48) chain B
residue 55
type
sequence Y
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
49) chain B
residue 84
type
sequence K
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
50) chain B
residue 117
type
sequence H
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
51) chain B
residue 166
type
sequence S
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
52) chain B
residue 167
type
sequence N
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
53) chain B
residue 190
type
sequence Q
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
54) chain B
residue 216
type
sequence Y
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
55) chain B
residue 217
type
sequence S
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
56) chain B
residue 218
type
sequence A
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
57) chain B
residue 219
type
sequence L
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
58) chain B
residue 220
type
sequence G
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
59) chain B
residue 221
type
sequence S
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
60) chain B
residue 222
type
sequence H
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
61) chain B
residue 236
type
sequence L
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
62) chain B
residue 253
type
sequence A
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
63) chain B
residue 268
type
sequence L
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
64) chain B
residue 270
type
sequence K
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
65) chain B
residue 271
type
sequence S
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
66) chain B
residue 272
type
sequence Y
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
67) chain B
residue 276
type
sequence R
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
68) chain B
residue 279
type
sequence Q
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
69) chain B
residue 280
type
sequence N
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
70) chain B
residue 306
type
sequence L
description BINDING SITE FOR RESIDUE NAP B 5001
source : AC7
71) chain B
residue 5
type
sequence Y
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
72) chain B
residue 6
type
sequence Q
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
73) chain B
residue 17
type
sequence P
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
74) chain B
residue 18
type
sequence V
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
75) chain B
residue 19
type
sequence L
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
76) chain B
residue 45
type
sequence G
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
77) chain B
residue 46
type
sequence F
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
78) chain B
residue 47
type
sequence H
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
79) chain B
residue 48
type
sequence H
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
80) chain B
residue 284
type
sequence F
description BINDING SITE FOR RESIDUE EDO B 1003
source : AC8
81) chain A
residue 123
type
sequence K
description BINDING SITE FOR RESIDUE EDO A 5003
source : AC9
82) chain A
residue 140
type
sequence D
description BINDING SITE FOR RESIDUE EDO A 5003
source : AC9
83) chain A
residue 141
type
sequence T
description BINDING SITE FOR RESIDUE EDO A 5003
source : AC9
84) chain A
residue 24
type
sequence Y
description BINDING SITE FOR RESIDUE CIT A 1006
source : BC1
85) chain A
residue 54
type
sequence V
description BINDING SITE FOR RESIDUE CIT A 1006
source : BC1
86) chain A
residue 86
type
sequence W
description BINDING SITE FOR RESIDUE CIT A 1006
source : BC1
87) chain A
residue 222
type
sequence H
description BINDING SITE FOR RESIDUE CIT A 1006
source : BC1
88) chain A
residue 227
type
sequence W
description BINDING SITE FOR RESIDUE CIT A 1006
source : BC1
89) chain A
residue 306
type
sequence L
description BINDING SITE FOR RESIDUE CIT A 1006
source : BC1
90) chain A
residue 5
type
sequence Y
description BINDING SITE FOR RESIDUE BME A 1005
source : BC2
91) chain B
residue 3
type
sequence S
description BINDING SITE FOR RESIDUE BME A 1005
source : BC2
92) chain B
residue 5
type
sequence Y
description BINDING SITE FOR RESIDUE BME A 1005
source : BC2
93) chain B
residue 7
type
sequence C
description BINDING SITE FOR RESIDUE BME A 1005
source : BC2
94) chain A
residue 151-168
type prosite
sequence MEKCKDAGLAKSIGVSNF
description ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MekckdaglAKSIGVSNF
source prosite : PS00062
95) 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
96) chain A
residue 55
type ACT_SITE
sequence Y
description Proton donor
source Swiss-Prot : SWS_FT_FI1
97) chain B
residue 55
type ACT_SITE
sequence Y
description Proton donor
source Swiss-Prot : SWS_FT_FI1
98) 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
99) 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
100) 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
101) 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
102) 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
103) 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
104) 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
105) 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
106) 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
107) 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
108) 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
109) 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
110) chain A
residue 24
type BINDING
sequence Y
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3
111) chain A
residue 222
type BINDING
sequence H
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3
112) chain B
residue 24
type BINDING
sequence Y
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3
113) chain B
residue 222
type BINDING
sequence H
description BINDING => ECO:0000250
source Swiss-Prot : SWS_FT_FI3
114) chain A
residue 117
type BINDING
sequence H
description
source Swiss-Prot : SWS_FT_FI4
115) chain A
residue 227
type BINDING
sequence W
description
source Swiss-Prot : SWS_FT_FI4
116) chain B
residue 117
type BINDING
sequence H
description
source Swiss-Prot : SWS_FT_FI4
117) chain B
residue 227
type BINDING
sequence W
description
source Swiss-Prot : SWS_FT_FI4
118) chain A
residue 84
type SITE
sequence K
description Lowers pKa of active site Tyr => ECO:0000250
source Swiss-Prot : SWS_FT_FI5
119) chain B
residue 84
type SITE
sequence K
description Lowers pKa of active site Tyr => ECO:0000250
source Swiss-Prot : SWS_FT_FI5

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