eF-site ID 3vgn-AB
PDB Code 3vgn
Chain A, B

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Title Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol
Classification ISOMERASE
Compound Steroid Delta-isomerase
Source Pseudomonas putida (Arthrobacter siderocapsulatus) (SDIS_PSEPU)
Sequence A:  MNLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVEN
PFGQPPIHGREQIAAFYRQGLGGGKVRACLTGPVRASHNG
CGAMPFRVEMVWNGQPCALDVIDVMRFDEHGRIQTMQAYW
SEVNLSV
B:  MNLPTAQEVQGLMARYIELVDVGDIEAIVQMYADDATVEN
PFGQPPIHGREQIAAFYRQGLGGGKVRACLTGPVRASHNG
CGAMPFRVEMVWNGQPCALDVIDVMRFDEHGRIQTMQAYW
SEVNLSV
Description


Functional site

1) chain A
residue 16
type
sequence Y
description BINDING SITE FOR RESIDUE FNN A 140
source : AC1

2) chain A
residue 40
type
sequence N
description BINDING SITE FOR RESIDUE FNN A 140
source : AC1

3) chain A
residue 86
type
sequence F
description BINDING SITE FOR RESIDUE FNN A 140
source : AC1

4) chain A
residue 88
type
sequence V
description BINDING SITE FOR RESIDUE FNN A 140
source : AC1

5) chain A
residue 103
type
sequence D
description BINDING SITE FOR RESIDUE FNN A 140
source : AC1

6) chain A
residue 116
type
sequence M
description BINDING SITE FOR RESIDUE FNN A 140
source : AC1

7) chain A
residue 118
type
sequence A
description BINDING SITE FOR RESIDUE FNN A 140
source : AC1

8) chain B
residue 16
type
sequence Y
description BINDING SITE FOR RESIDUE FNN B 140
source : AC2

9) chain B
residue 40
type
sequence N
description BINDING SITE FOR RESIDUE FNN B 140
source : AC2

10) chain B
residue 86
type
sequence F
description BINDING SITE FOR RESIDUE FNN B 140
source : AC2

11) chain B
residue 103
type
sequence D
description BINDING SITE FOR RESIDUE FNN B 140
source : AC2

12) chain B
residue 116
type
sequence M
description BINDING SITE FOR RESIDUE FNN B 140
source : AC2

13) chain A
residue 16
type catalytic
sequence Y
description 349
source MCSA : MCSA1

14) chain A
residue 40
type catalytic
sequence N
description 349
source MCSA : MCSA1

15) chain A
residue 100
type catalytic
sequence D
description 349
source MCSA : MCSA1

16) chain A
residue 103
type catalytic
sequence D
description 349
source MCSA : MCSA1

17) chain B
residue 16
type catalytic
sequence Y
description 349
source MCSA : MCSA2

18) chain B
residue 40
type catalytic
sequence N
description 349
source MCSA : MCSA2

19) chain B
residue 100
type catalytic
sequence D
description 349
source MCSA : MCSA2

20) chain B
residue 103
type catalytic
sequence D
description 349
source MCSA : MCSA2

21) chain A
residue 103
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:11007792
source Swiss-Prot : SWS_FT_FI3

22) chain B
residue 103
type BINDING
sequence D
description BINDING => ECO:0000269|PubMed:11007792
source Swiss-Prot : SWS_FT_FI3

23) chain A
residue 16
type ACT_SITE
sequence Y
description Proton donor
source Swiss-Prot : SWS_FT_FI1

24) chain B
residue 16
type ACT_SITE
sequence Y
description Proton donor
source Swiss-Prot : SWS_FT_FI1

25) chain A
residue 40
type ACT_SITE
sequence N
description Proton acceptor
source Swiss-Prot : SWS_FT_FI2

26) chain B
residue 40
type ACT_SITE
sequence N
description Proton acceptor
source Swiss-Prot : SWS_FT_FI2


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