eF-site ID 4qdd-A
PDB Code 4qdd
Chain A

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Title Crystal structure of 3-ketosteroid-9-alpha-hydroxylase 5 (KshA5) from R. rhodochrous in complex with 1,4-30Q-CoA
Classification oxidoreductase/oxidoreductase inhibitor
Compound 3-ketosteroid 9alpha-hydroxylase oxygenase
Source Rhodococcus rhodochrous (F1CMY8_RHORH)
Sequence A:  EIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGT
KLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPF
HDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYV
WNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSH
CREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHS
TGREDVISYDDPNAELRSEATYFGPSYMIDWLESDANGQT
IETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMA
EQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLR
RWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAE
NLAKQA
Description


Functional site

1) chain A
residue 73
type
sequence C
description BINDING SITE FOR RESIDUE FES A 401
source : AC1

2) chain A
residue 75
type
sequence H
description BINDING SITE FOR RESIDUE FES A 401
source : AC1

3) chain A
residue 76
type
sequence M
description BINDING SITE FOR RESIDUE FES A 401
source : AC1

4) chain A
residue 78
type
sequence G
description BINDING SITE FOR RESIDUE FES A 401
source : AC1

5) chain A
residue 92
type
sequence C
description BINDING SITE FOR RESIDUE FES A 401
source : AC1

6) chain A
residue 94
type
sequence F
description BINDING SITE FOR RESIDUE FES A 401
source : AC1

7) chain A
residue 95
type
sequence H
description BINDING SITE FOR RESIDUE FES A 401
source : AC1

8) chain A
residue 97
type
sequence W
description BINDING SITE FOR RESIDUE FES A 401
source : AC1

9) chain A
residue 187
type
sequence H
description BINDING SITE FOR RESIDUE FE2 A 402
source : AC2

10) chain A
residue 192
type
sequence H
description BINDING SITE FOR RESIDUE FE2 A 402
source : AC2

11) chain A
residue 311
type
sequence D
description BINDING SITE FOR RESIDUE FE2 A 402
source : AC2

12) chain A
residue 181
type
sequence N
description BINDING SITE FOR RESIDUE 30Q A 403
source : AC3

13) chain A
residue 182
type
sequence V
description BINDING SITE FOR RESIDUE 30Q A 403
source : AC3

14) chain A
residue 192
type
sequence H
description BINDING SITE FOR RESIDUE 30Q A 403
source : AC3

15) chain A
residue 210
type
sequence Q
description BINDING SITE FOR RESIDUE 30Q A 403
source : AC3

16) chain A
residue 235
type
sequence S
description BINDING SITE FOR RESIDUE 30Q A 403
source : AC3

17) chain A
residue 247
type
sequence D
description BINDING SITE FOR RESIDUE 30Q A 403
source : AC3

18) chain A
residue 299
type
sequence Q
description BINDING SITE FOR RESIDUE 30Q A 403
source : AC3

19) chain A
residue 300
type
sequence F
description BINDING SITE FOR RESIDUE 30Q A 403
source : AC3

20) chain A
residue 73
type BINDING
sequence C
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00628, ECO:0000269|PubMed:25049233
source Swiss-Prot : SWS_FT_FI1

21) chain A
residue 75
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00628, ECO:0000269|PubMed:25049233
source Swiss-Prot : SWS_FT_FI1

22) chain A
residue 92
type BINDING
sequence C
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00628, ECO:0000269|PubMed:25049233
source Swiss-Prot : SWS_FT_FI1

23) chain A
residue 95
type BINDING
sequence H
description BINDING => ECO:0000255|PROSITE-ProRule:PRU00628, ECO:0000269|PubMed:25049233
source Swiss-Prot : SWS_FT_FI1

24) chain A
residue 181
type BINDING
sequence N
description BINDING => ECO:0000269|PubMed:25049233
source Swiss-Prot : SWS_FT_FI2

25) chain A
residue 187
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:25049233
source Swiss-Prot : SWS_FT_FI2

26) chain A
residue 192
type BINDING
sequence H
description BINDING => ECO:0000269|PubMed:25049233
source Swiss-Prot : SWS_FT_FI2

27) chain A
residue 311
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:25049233
source Swiss-Prot : SWS_FT_FI2


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