eF-site ID 4jse-AB
PDB Code 4jse
Chain A, B

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Title Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine)
Classification OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Compound Nitric oxide synthase, brain
Source Rattus norvegicus (Rat) (NOS1_RAT)
Sequence A:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP
STKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEI
ESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFD
ARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDG
KHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQ
GWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRH
PKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWY
MGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKDQ
ALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYRC
RGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQP
DPWNTHVW
B:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP
SVRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNK
EIESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQV
FDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRT
DGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICI
QQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPI
RHPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSG
WYMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWK
DQALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEY
RCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEY
QPDPWNTHVWKG
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 414
type
sequence R
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

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

4) chain A
residue 416
type
sequence V
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

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

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

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

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

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

10) chain A
residue 589
type
sequence M
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

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

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

13) chain A
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

14) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE ACT A 802
source : AC2

15) chain A
residue 657
type
sequence S
description BINDING SITE FOR RESIDUE ACT A 802
source : AC2

16) chain A
residue 323
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 A 803
source : AC3

17) chain A
residue 573
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 A 803
source : AC3

18) chain A
residue 578
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 A 803
source : AC3

19) chain A
residue 699
type
sequence R
description BINDING SITE FOR RESIDUE QJ2 A 803
source : AC3

20) chain A
residue 704
type
sequence F
description BINDING SITE FOR RESIDUE QJ2 A 803
source : AC3

21) chain A
residue 705
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 A 803
source : AC3

22) chain A
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE QJ2 A 803
source : AC3

23) chain A
residue 334
type
sequence S
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

24) chain A
residue 336
type
sequence M
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

25) chain A
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

26) chain A
residue 677
type
sequence V
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

27) chain A
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

28) chain B
residue 676
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

29) chain B
residue 691
type
sequence F
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

30) chain B
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

31) chain B
residue 693
type
sequence Q
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

32) chain B
residue 694
type
sequence E
description BINDING SITE FOR RESIDUE H4B A 804
source : AC4

33) chain A
residue 477
type
sequence S
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

34) chain A
residue 478
type
sequence Q
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

35) chain A
residue 481
type
sequence R
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

36) chain A
residue 567
type
sequence V
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

37) chain A
residue 569
type
sequence N
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

38) chain A
residue 570
type
sequence M
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

39) chain A
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

40) chain A
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

41) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

42) chain A
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 A 805
source : AC5

43) chain A
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE ZN A 806
source : AC6

44) chain A
residue 600
type
sequence D
description BINDING SITE FOR RESIDUE ZN A 806
source : AC6

45) chain B
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE ZN A 806
source : AC6

46) chain A
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE CL A 807
source : AC7

47) chain A
residue 600
type
sequence D
description BINDING SITE FOR RESIDUE CL A 807
source : AC7

48) chain A
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE CL A 808
source : AC8

49) chain A
residue 600
type
sequence D
description BINDING SITE FOR RESIDUE CL A 808
source : AC8

50) chain B
residue 686
type
sequence S
description BINDING SITE FOR RESIDUE CL A 808
source : AC8

51) chain B
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE CL A 808
source : AC8

52) chain A
residue 326
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 809
source : AC9

53) chain A
residue 331
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 809
source : AC9

54) chain B
residue 326
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 809
source : AC9

55) chain B
residue 331
type
sequence C
description BINDING SITE FOR RESIDUE ZN A 809
source : AC9

56) chain B
residue 409
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

57) chain B
residue 414
type
sequence R
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

58) chain B
residue 415
type
sequence C
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

59) chain B
residue 457
type
sequence S
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

60) chain B
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

61) chain B
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

62) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

63) chain B
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

64) chain B
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

65) chain B
residue 704
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

66) chain B
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE HEM B 801
source : BC1

67) chain A
residue 676
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

68) chain A
residue 691
type
sequence F
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

69) chain A
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

70) chain A
residue 693
type
sequence Q
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

71) chain A
residue 694
type
sequence E
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

72) chain B
residue 334
type
sequence S
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

73) chain B
residue 336
type
sequence M
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

74) chain B
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

75) chain B
residue 677
type
sequence V
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

76) chain B
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 802
source : BC2

77) chain B
residue 323
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 B 803
source : BC3

78) chain B
residue 573
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 B 803
source : BC3

79) chain B
residue 578
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 B 803
source : BC3

80) chain B
residue 699
type
sequence R
description BINDING SITE FOR RESIDUE QJ2 B 803
source : BC3

81) chain B
residue 704
type
sequence F
description BINDING SITE FOR RESIDUE QJ2 B 803
source : BC3

82) chain B
residue 705
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 B 803
source : BC3

83) chain B
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE QJ2 B 803
source : BC3

84) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE ACT B 804
source : BC4

85) chain B
residue 649
type
sequence V
description BINDING SITE FOR RESIDUE ACT B 804
source : BC4

86) chain B
residue 477
type
sequence S
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

87) chain B
residue 478
type
sequence Q
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

88) chain B
residue 481
type
sequence R
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

89) chain B
residue 567
type
sequence V
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

90) chain B
residue 569
type
sequence N
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

91) chain B
residue 570
type
sequence M
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

92) chain B
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

93) chain B
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

94) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

95) chain B
residue 588
type
sequence Y
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

96) chain B
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE QJ2 B 805
source : BC5

97) chain A
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE ZN B 806
source : BC6

98) chain B
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE ZN B 806
source : BC6

99) chain B
residue 600
type
sequence D
description BINDING SITE FOR RESIDUE ZN B 806
source : BC6

100) chain B
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE CL B 807
source : BC7

101) chain B
residue 600
type
sequence D
description BINDING SITE FOR RESIDUE CL B 807
source : BC7

102) chain A
residue 686
type
sequence S
description BINDING SITE FOR RESIDUE CL B 808
source : BC8

103) chain B
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE CL B 808
source : BC8

104) chain B
residue 600
type
sequence D
description BINDING SITE FOR RESIDUE CL B 808
source : BC8

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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


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