eF-site ID 4lux-A
PDB Code 4lux
Chain A

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Title Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Classification OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Compound Nitric oxide synthase, brain
Source Rattus norvegicus (Rat) (NOS1_RAT)
Sequence A:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP
TKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIE
STSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDA
RDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGK
HDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQG
WKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHP
KFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYM
GTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQA
LVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRCR
GGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQPD
PWNTHVW
Description


Functional site

1) chain A
residue 409
type
sequence W
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

2) chain A
residue 415
type
sequence C
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

3) chain A
residue 457
type
sequence S
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

4) chain A
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

5) chain A
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

6) chain A
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

7) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

8) chain A
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

9) chain A
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

10) chain A
residue 704
type
sequence F
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

11) chain A
residue 334
type
sequence S
description BINDING SITE FOR RESIDUE H4B A 802
source : AC2

12) chain A
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE H4B A 802
source : AC2

13) chain A
residue 677
type
sequence V
description BINDING SITE FOR RESIDUE H4B A 802
source : AC2

14) chain A
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 802
source : AC2

15) chain A
residue 337
type
sequence L
description BINDING SITE FOR RESIDUE QJ8 A 803
source : AC3

16) chain A
residue 414
type
sequence R
description BINDING SITE FOR RESIDUE QJ8 A 803
source : AC3

17) chain A
residue 567
type
sequence V
description BINDING SITE FOR RESIDUE QJ8 A 803
source : AC3

18) chain A
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE QJ8 A 803
source : AC3

19) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE QJ8 A 803
source : AC3

20) chain A
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE QJ8 A 803
source : AC3

21) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE ACT A 804
source : AC4

22) chain A
residue 326
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 805
source : AC5

23) chain A
residue 331
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 805
source : AC5

24) chain A
residue 676
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

25) chain A
residue 691
type
sequence F
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

26) chain A
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

27) chain A
residue 694
type
sequence E
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

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

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

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

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

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

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

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

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

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

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

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


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