eF-site ID 3jx4-AB
PDB Code 3jx4
Chain A, B

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Title Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'S)-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
B:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIVLP
VRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKE
IESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVF
DARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTD
GKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGW
YMGTEIGVRNYCDNSRYNILEEVAKKMDLDMRKTSSLWKD
QALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYR
CRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG
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 412
type
sequence A
description BINDING SITE FOR RESIDUE HEM A 750
source : AC1

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

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

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

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

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

8) chain A
residue 706
type
sequence Y
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 336
type
sequence V
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

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

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

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

14) chain B
residue 676
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

15) chain B
residue 691
type
sequence F
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

16) chain B
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

17) chain B
residue 693
type
sequence Q
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

18) chain B
residue 694
type
sequence E
description BINDING SITE FOR RESIDUE H4B A 760
source : AC2

19) chain A
residue 567
type
sequence V
description BINDING SITE FOR RESIDUE J11 A 800
source : AC3

20) chain A
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE J11 A 800
source : AC3

21) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE J11 A 800
source : AC3

22) chain A
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE J11 A 800
source : AC3

23) chain B
residue 306
type
sequence W
description BINDING SITE FOR RESIDUE J11 A 800
source : AC3

24) chain A
residue 419
type
sequence I
description BINDING SITE FOR RESIDUE ACT A 860
source : AC4

25) chain A
residue 587
type
sequence W
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 B
residue 326
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC5

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

30) chain B
residue 409
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

31) chain B
residue 412
type
sequence A
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

32) chain B
residue 414
type
sequence R
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

33) chain B
residue 415
type
sequence C
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

34) chain B
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

35) chain B
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

36) chain B
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

37) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

38) chain B
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

39) chain B
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

40) chain B
residue 704
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

41) chain B
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE HEM B 750
source : AC6

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

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

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

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

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

47) chain B
residue 334
type
sequence S
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

48) chain B
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

49) chain B
residue 677
type
sequence V
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

50) chain B
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 760
source : AC7

51) chain B
residue 336
type
sequence V
description BINDING SITE FOR RESIDUE J11 B 800
source : AC8

52) chain B
residue 567
type
sequence V
description BINDING SITE FOR RESIDUE J11 B 800
source : AC8

53) chain B
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE J11 B 800
source : AC8

54) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE J11 B 800
source : AC8

55) chain B
residue 588
type
sequence Y
description BINDING SITE FOR RESIDUE J11 B 800
source : AC8

56) chain B
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE J11 B 800
source : AC8

57) chain B
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE J11 B 800
source : AC8

58) chain B
residue 420
type
sequence Q
description BINDING SITE FOR RESIDUE ACT B 860
source : AC9

59) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE ACT B 860
source : AC9

60) chain B
residue 657
type
sequence S
description BINDING SITE FOR RESIDUE ACT B 860
source : AC9

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

81) 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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