eF-site ID 6nh0-B
PDB Code 6nh0
Chain B

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Title Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(4-methylmorpholin-3-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
Classification oxidoreductase/oxidoreductase inhibitor
Compound Nitric oxide synthase, brain
Source (NOS1_RAT)
Sequence B:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP
VRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKE
IESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVF
DARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTD
GKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGW
YMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKD
QALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYR
CRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG
Description


Functional site

1) chain B
residue 676
type
sequence W
description binding site for residue H4B A 802
source : AC2

2) chain B
residue 691
type
sequence F
description binding site for residue H4B A 802
source : AC2

3) chain B
residue 692
type
sequence H
description binding site for residue H4B A 802
source : AC2

4) chain B
residue 693
type
sequence Q
description binding site for residue H4B A 802
source : AC2

5) chain B
residue 694
type
sequence E
description binding site for residue H4B A 802
source : AC2

6) chain B
residue 326
type
sequence C
description binding site for residue ZN A 805
source : AC5

7) chain B
residue 331
type
sequence C
description binding site for residue ZN A 805
source : AC5

8) chain B
residue 409
type
sequence W
description binding site for residue HEM B 801
source : AC6

9) chain B
residue 414
type
sequence R
description binding site for residue HEM B 801
source : AC6

10) chain B
residue 415
type
sequence C
description binding site for residue HEM B 801
source : AC6

11) chain B
residue 584
type
sequence F
description binding site for residue HEM B 801
source : AC6

12) chain B
residue 585
type
sequence S
description binding site for residue HEM B 801
source : AC6

13) chain B
residue 587
type
sequence W
description binding site for residue HEM B 801
source : AC6

14) chain B
residue 592
type
sequence E
description binding site for residue HEM B 801
source : AC6

15) chain B
residue 678
type
sequence W
description binding site for residue HEM B 801
source : AC6

16) chain B
residue 706
type
sequence Y
description binding site for residue HEM B 801
source : AC6

17) chain B
residue 334
type
sequence S
description binding site for residue H4B B 802
source : AC7

18) chain B
residue 596
type
sequence R
description binding site for residue H4B B 802
source : AC7

19) chain B
residue 677
type
sequence V
description binding site for residue H4B B 802
source : AC7

20) chain B
residue 678
type
sequence W
description binding site for residue H4B B 802
source : AC7

21) chain B
residue 567
type
sequence V
description binding site for residue KND B 803
source : AC8

22) chain B
residue 570
type
sequence M
description binding site for residue KND B 803
source : AC8

23) chain B
residue 584
type
sequence F
description binding site for residue KND B 803
source : AC8

24) chain B
residue 586
type
sequence G
description binding site for residue KND B 803
source : AC8

25) chain B
residue 587
type
sequence W
description binding site for residue KND B 803
source : AC8

26) chain B
residue 592
type
sequence E
description binding site for residue KND B 803
source : AC8

27) chain B
residue 678
type
sequence W
description binding site for residue KND B 803
source : AC8

28) chain B
residue 706
type
sequence Y
description binding site for residue KND B 803
source : AC8

29) chain B
residue 587
type
sequence W
description binding site for residue ACT B 804
source : AC9

30) chain B
residue 492
type
sequence T
description binding site for residue GOL B 805
source : AD1

31) chain B
residue 493
type
sequence L
description binding site for residue GOL B 805
source : AD1

32) chain B
residue 494
type
sequence G
description binding site for residue GOL B 805
source : AD1

33) chain B
residue 516
type
sequence R
description binding site for residue GOL B 805
source : AD1

34) chain B
residue 604
type
sequence Y
description binding site for residue GOL B 805
source : AD1

35) chain B
residue 669
type
sequence R
description binding site for residue GOL B 806
source : AD2

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

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

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

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

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

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

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

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

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

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


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