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

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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 A:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIVLP
TKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIE
STSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDA
RDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGK
HDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQG
WKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHP
KFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYM
GTEIGVRNYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQA
LVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCR
GGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPD
PWNTHVW
Description


Functional site

1) chain A
residue 409
type
sequence W
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

2) chain A
residue 415
type
sequence C
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

3) chain A
residue 416
type
sequence V
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

4) chain A
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

5) chain A
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

6) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

7) chain A
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

8) chain A
residue 704
type
sequence F
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

9) chain A
residue 334
type
sequence S
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

10) chain A
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

11) chain A
residue 677
type
sequence V
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

12) chain A
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

13) chain A
residue 336
type
sequence V
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

14) chain A
residue 337
type
sequence L
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

15) chain A
residue 414
type
sequence R
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

16) chain A
residue 478
type
sequence Q
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

17) chain A
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

18) chain A
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

19) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

20) chain A
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

21) chain A
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

22) chain A
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE JI5 A 800
source : AC3

23) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE ACT A 860
source : AC4

24) chain A
residue 657
type
sequence S
description BINDING SITE FOR RESIDUE ACT A 860
source : AC4

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

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

27) chain A
residue 676
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

28) chain A
residue 691
type
sequence F
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

29) chain A
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

30) chain A
residue 693
type
sequence Q
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

31) chain A
residue 694
type
sequence E
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

32) chain A
residue 306
type
sequence W
description BINDING SITE FOR RESIDUE JI5 B 800
source : AC8

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

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

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

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

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

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

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

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

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

42) chain A
residue 414-421
type prosite
sequence RCVGRIQW
description NOS Nitric oxide synthase (NOS) signature. RCVGRIqW
source prosite : PS60001

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


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