eF-site ID 3jx3-B
PDB Code 3jx3
Chain B

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Title Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
Classification OXIDOREDUCTASE
Compound Nitric oxide synthase, brain
Source (NOS1_RAT)
Sequence B:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIVLP
VRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKE
IESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVF
DARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTD
GKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGW
YMGTEIGVRNYCDNSRYNILEEVAKKMDLDMRKTSSLWKD
QALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYR
CRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG
Description


Functional site

1) chain B
residue 676
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

2) chain B
residue 691
type
sequence F
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

3) chain B
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

4) chain B
residue 693
type
sequence Q
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

5) chain B
residue 694
type
sequence E
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

6) chain B
residue 306
type
sequence W
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

7) chain B
residue 326
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC5

8) chain B
residue 331
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC5

9) chain B
residue 409
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

10) chain B
residue 415
type
sequence C
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

11) chain B
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

12) chain B
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

13) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

14) chain B
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

15) chain B
residue 704
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

16) chain B
residue 334
type
sequence S
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

17) chain B
residue 336
type
sequence V
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

18) chain B
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

19) chain B
residue 677
type
sequence V
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

20) chain B
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

21) chain B
residue 336
type
sequence V
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

22) chain B
residue 414
type
sequence R
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

23) chain B
residue 478
type
sequence Q
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

24) chain B
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

25) chain B
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

26) chain B
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

27) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

28) chain B
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

29) chain B
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

30) chain B
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

31) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE ACT B 860
source : AC9

32) chain B
residue 415
type BINDING
sequence C
description axial binding residue => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI2

33) chain B
residue 334
type BINDING
sequence S
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1

34) chain B
residue 478
type BINDING
sequence Q
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1

35) chain B
residue 587
type BINDING
sequence W
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1

36) chain B
residue 588
type BINDING
sequence Y
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1

37) chain B
residue 592
type BINDING
sequence E
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1

38) chain B
residue 677
type BINDING
sequence V
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1

39) chain B
residue 678
type BINDING
sequence W
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1

40) chain B
residue 691
type BINDING
sequence F
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1

41) chain B
residue 706
type BINDING
sequence Y
description BINDING => ECO:0000250|UniProtKB:P29475
source Swiss-Prot : SWS_FT_FI1


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