eF-site ID 2qdy-A
PDB Code 2qdy
Chain A

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Title Crystal Structure of Fe-type NHase from Rhodococcus erythropolis AJ270
Classification LYASE
Compound Nitrile hydratase subunit alpha
Source ORGANISM_SCIENTIFIC: Rhodococcus erythropolis;
Sequence A:  ENAAPAQAPVSDRAWALFRALDGKGLVPDGYVEGWKKTFE
EDFSPRRGAELVARAWTDPEFRQLLLTDGTAAVAQYGYLG
PQGEYIVAVEDTPTLKNVIVCSLXSXTAWPILGLPPTWYK
SFEYRARVVREPRKVLSEMGTEIASDIEIRVYDTTAETRY
MVLPQRPAGTEGWSQEQLQEIVTKDCLIGVAIPQVPT
Description


Functional site

1) chain A
residue 110
type
sequence C
description BINDING SITE FOR RESIDUE FE A 300
source : AC1

2) chain A
residue 114
type
sequence S
description BINDING SITE FOR RESIDUE FE A 300
source : AC1

3) chain A
residue 20
type
sequence S
description BINDING SITE FOR RESIDUE CL A 2002
source : AC3

4) chain A
residue 24
type
sequence W
description BINDING SITE FOR RESIDUE CL A 2002
source : AC3

5) chain A
residue 174
type
sequence Q
description BINDING SITE FOR RESIDUE CL A 2004
source : AC5

6) chain A
residue 175
type
sequence R
description BINDING SITE FOR RESIDUE CL A 2004
source : AC5

7) chain A
residue 91
type
sequence Q
description BINDING SITE FOR RESIDUE IBN B 1000
source : AC9

8) chain A
residue 40
type
sequence Y
description BINDING SITE FOR RESIDUE GOL A 1100
source : BC1

9) chain A
residue 43
type
sequence G
description BINDING SITE FOR RESIDUE GOL A 1100
source : BC1

10) chain A
residue 44
type
sequence W
description BINDING SITE FOR RESIDUE GOL A 1100
source : BC1

11) chain A
residue 47
type
sequence T
description BINDING SITE FOR RESIDUE GOL A 1100
source : BC1

12) chain A
residue 77
type
sequence D
description BINDING SITE FOR RESIDUE GOL A 1200
source : BC2

13) chain A
residue 78
type
sequence G
description BINDING SITE FOR RESIDUE GOL A 1200
source : BC2

14) chain A
residue 79
type
sequence T
description BINDING SITE FOR RESIDUE GOL A 1200
source : BC2

15) chain A
residue 94
type
sequence Y
description BINDING SITE FOR RESIDUE GOL A 1200
source : BC2

16) chain A
residue 95
type
sequence I
description BINDING SITE FOR RESIDUE GOL A 1200
source : BC2

17) chain A
residue 139
type
sequence R
description BINDING SITE FOR RESIDUE GOL B 1300
source : BC3

18) chain A
residue 140
type
sequence E
description BINDING SITE FOR RESIDUE GOL B 1300
source : BC3

19) chain A
residue 161
type
sequence Y
description BINDING SITE FOR RESIDUE GOL B 1500
source : BC5

20) chain A
residue 65
type
sequence W
description BINDING SITE FOR RESIDUE GOL B 1600
source : BC6

21) chain A
residue 66
type
sequence T
description BINDING SITE FOR RESIDUE GOL B 1600
source : BC6

22) chain A
residue 67
type
sequence D
description BINDING SITE FOR RESIDUE GOL B 1600
source : BC6

23) chain A
residue 68
type
sequence P
description BINDING SITE FOR RESIDUE GOL B 1600
source : BC6

24) chain A
residue 175
type
sequence R
description BINDING SITE FOR RESIDUE GOL B 1600
source : BC6

25) chain A
residue 115
type catalytic
sequence X
description 57
source MCSA : MCSA1

26) chain A
residue 110
type BINDING
sequence C
description BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ
source Swiss-Prot : SWS_FT_FI1

27) chain A
residue 113
type BINDING
sequence X
description BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ
source Swiss-Prot : SWS_FT_FI1

28) chain A
residue 114
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ
source Swiss-Prot : SWS_FT_FI1

29) chain A
residue 115
type BINDING
sequence X
description BINDING => ECO:0000269|PubMed:9586994, ECO:0007744|PDB:2AHJ
source Swiss-Prot : SWS_FT_FI1

30) chain A
residue 113
type MOD_RES
sequence X
description Cysteine sulfinic acid (-SO2H) => ECO:0000269|PubMed:9368004, ECO:0000269|PubMed:9586994
source Swiss-Prot : SWS_FT_FI2

31) chain A
residue 115
type MOD_RES
sequence X
description Cysteine sulfenic acid (-SOH) => ECO:0000269|PubMed:9586994
source Swiss-Prot : SWS_FT_FI3


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