eF-site ID 5fvx-AB
PDB Code 5fvx
Chain A, B

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Title Structure of human nNOS R354A G357D mutant heme domain in complex with with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL) PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE
Classification OXIDOREDUCTASE
Compound NITRIC OXIDE SYNTHASE, BRAIN
Source Homo sapiens (Human) (NOS1_HUMAN)
Sequence A:  CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIM
HPDVATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEV
NKEIDTTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKL
QVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQ
RTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEI
CIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEV
PIRHPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPF
SGWYMGTEIGVRDYCDNSRYNILEEVAKKMNLDMRKTSSL
WKDQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMEN
EYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSF
EYQPDPWNTHVWK
B:  RFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHP
SATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKE
IDTTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVF
DARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTD
GKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGW
YMGTEIGVRDYCDNSRYNILEEVAKKMNLDMRKTSSLWKD
QALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYR
CRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWK
Description (1)  NITRIC OXIDE SYNTHASE, BRAIN


Functional site

1) chain A
residue 414
type
sequence W
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

2) chain A
residue 420
type
sequence C
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

3) chain A
residue 589
type
sequence F
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

4) chain A
residue 590
type
sequence S
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

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

6) chain A
residue 597
type
sequence E
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

7) chain A
residue 683
type
sequence W
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

8) chain A
residue 709
type
sequence F
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

9) chain A
residue 711
type
sequence Y
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

10) chain A
residue 339
type
sequence S
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

11) chain A
residue 601
type
sequence R
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

12) chain A
residue 682
type
sequence V
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

13) chain A
residue 683
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

14) chain B
residue 681
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

15) chain B
residue 696
type
sequence F
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

16) chain B
residue 697
type
sequence H
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

17) chain B
residue 698
type
sequence Q
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

18) chain B
residue 699
type
sequence E
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

19) chain A
residue 483
type
sequence Q
description BINDING SITE FOR RESIDUE W67 A 800
source : AC3

20) chain A
residue 486
type
sequence R
description BINDING SITE FOR RESIDUE W67 A 800
source : AC3

21) chain A
residue 567
type
sequence Y
description BINDING SITE FOR RESIDUE W67 A 800
source : AC3

22) chain A
residue 591
type
sequence G
description BINDING SITE FOR RESIDUE W67 A 800
source : AC3

23) chain A
residue 592
type
sequence W
description BINDING SITE FOR RESIDUE W67 A 800
source : AC3

24) chain A
residue 593
type
sequence Y
description BINDING SITE FOR RESIDUE W67 A 800
source : AC3

25) chain A
residue 597
type
sequence E
description BINDING SITE FOR RESIDUE W67 A 800
source : AC3

26) chain A
residue 331
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC4

27) chain A
residue 336
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC4

28) chain B
residue 331
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC4

29) chain B
residue 336
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC4

30) chain B
residue 414
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

31) chain B
residue 420
type
sequence C
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

32) chain B
residue 462
type
sequence S
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

33) chain B
residue 589
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

34) chain B
residue 590
type
sequence S
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

35) chain B
residue 592
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

36) chain B
residue 597
type
sequence E
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

37) chain B
residue 683
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

38) chain B
residue 709
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

39) chain B
residue 711
type
sequence Y
description BINDING SITE FOR RESIDUE HEM B 750
source : AC5

40) chain A
residue 681
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

41) chain A
residue 696
type
sequence F
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

42) chain A
residue 697
type
sequence H
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

43) chain A
residue 698
type
sequence Q
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

44) chain B
residue 339
type
sequence S
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

45) chain B
residue 341
type
sequence M
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

46) chain B
residue 601
type
sequence R
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

47) chain B
residue 682
type
sequence V
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

48) chain B
residue 683
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 760
source : AC6

49) chain B
residue 483
type
sequence Q
description BINDING SITE FOR RESIDUE W67 B 800
source : AC7

50) chain B
residue 486
type
sequence R
description BINDING SITE FOR RESIDUE W67 B 800
source : AC7

51) chain B
residue 567
type
sequence Y
description BINDING SITE FOR RESIDUE W67 B 800
source : AC7

52) chain B
residue 572
type
sequence V
description BINDING SITE FOR RESIDUE W67 B 800
source : AC7

53) chain B
residue 589
type
sequence F
description BINDING SITE FOR RESIDUE W67 B 800
source : AC7

54) chain B
residue 592
type
sequence W
description BINDING SITE FOR RESIDUE W67 B 800
source : AC7

55) chain B
residue 593
type
sequence Y
description BINDING SITE FOR RESIDUE W67 B 800
source : AC7

56) chain B
residue 597
type
sequence E
description BINDING SITE FOR RESIDUE W67 B 800
source : AC7

57) chain A
residue 420
type BINDING
sequence C
description axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI2

58) chain B
residue 420
type BINDING
sequence C
description axial binding residue => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI2

59) chain A
residue 419-426
type prosite
sequence RCVGRIQW
description NOS Nitric oxide synthase (NOS) signature. RCVGRIqW
source prosite : PS60001

60) chain B
residue 339
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

61) chain B
residue 483
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

62) chain B
residue 592
type BINDING
sequence W
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

63) chain B
residue 593
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

64) chain B
residue 597
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

65) chain B
residue 682
type BINDING
sequence V
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

66) chain B
residue 683
type BINDING
sequence W
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

67) chain B
residue 696
type BINDING
sequence F
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

68) chain B
residue 711
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

69) chain A
residue 592
type BINDING
sequence W
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

70) chain A
residue 593
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

71) chain A
residue 597
type BINDING
sequence E
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

72) chain A
residue 682
type BINDING
sequence V
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

73) chain A
residue 683
type BINDING
sequence W
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

74) chain A
residue 696
type BINDING
sequence F
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

75) chain A
residue 711
type BINDING
sequence Y
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

76) chain A
residue 483
type BINDING
sequence Q
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1

77) chain A
residue 339
type BINDING
sequence S
description BINDING => ECO:0000269|PubMed:25286850, ECO:0007744|PDB:4D1N
source Swiss-Prot : SWS_FT_FI1


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