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

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Title Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Classification oxidoreductase/Inhibitor
Compound Nitric oxide synthase, brain
Source Rattus norvegicus (Rat) (NOS1_RAT)
Sequence A:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP
VRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKE
IESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVF
DARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTD
GKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGW
YMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKD
QALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYR
CRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVW
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 414
type
sequence R
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

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

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

5) chain A
residue 457
type
sequence S
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

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

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

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

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

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

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

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

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

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

15) chain A
residue 336
type
sequence M
description BINDING SITE FOR RESIDUE 8BX A 800
source : AC3

16) chain A
residue 414
type
sequence R
description BINDING SITE FOR RESIDUE 8BX A 800
source : AC3

17) chain A
residue 478
type
sequence Q
description BINDING SITE FOR RESIDUE 8BX A 800
source : AC3

18) chain A
residue 567
type
sequence V
description BINDING SITE FOR RESIDUE 8BX A 800
source : AC3

19) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE 8BX A 800
source : AC3

20) chain A
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE 8BX A 800
source : AC3

21) chain A
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE 8BX A 800
source : AC3

22) chain A
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE 8BX 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 649
type
sequence V
description BINDING SITE FOR RESIDUE ACT A 860
source : AC4

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

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

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

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

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

30) chain A
residue 692
type
sequence H
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 8BX B 800
source : AC9

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

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

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

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

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

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

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

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

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

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

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


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