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

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Title Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-(ethane-1,2-diylbis(3,1-phenylene))bis(thiophene-2-carboximidamide)
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
B:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP
VRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKE
IESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVF
DARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTD
GKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGW
YMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKD
QALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYR
CRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG
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 457
type
sequence S
description BINDING SITE FOR RESIDUE HEM A 801
source : AC1

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

6) chain A
residue 585
type
sequence S
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 706
type
sequence Y
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 B
residue 676
type
sequence W
description BINDING SITE FOR RESIDUE H4B A 802
source : AC2

16) chain B
residue 691
type
sequence F
description BINDING SITE FOR RESIDUE H4B A 802
source : AC2

17) chain B
residue 692
type
sequence H
description BINDING SITE FOR RESIDUE H4B A 802
source : AC2

18) chain B
residue 694
type
sequence E
description BINDING SITE FOR RESIDUE H4B A 802
source : AC2

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

20) chain A
residue 649
type
sequence V
description BINDING SITE FOR RESIDUE ACT A 803
source : AC3

21) chain A
residue 337
type
sequence L
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

22) chain A
residue 565
type
sequence P
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

23) chain A
residue 567
type
sequence V
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

24) chain A
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

25) chain A
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

26) chain A
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

27) chain A
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

28) chain A
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

29) chain B
residue 306
type
sequence W
description BINDING SITE FOR RESIDUE 1QE A 804
source : AC4

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

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

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

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

34) chain B
residue 409
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

35) chain B
residue 414
type
sequence R
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

36) chain B
residue 415
type
sequence C
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

37) chain B
residue 457
type
sequence S
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

38) chain B
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

39) chain B
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

40) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

41) chain B
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

42) chain B
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

43) chain B
residue 704
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

44) chain B
residue 706
type
sequence Y
description BINDING SITE FOR RESIDUE HEM B 801
source : AC6

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

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

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

48) chain A
residue 693
type
sequence Q
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

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

50) chain B
residue 334
type
sequence S
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

51) chain B
residue 596
type
sequence R
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

52) chain B
residue 677
type
sequence V
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

53) chain B
residue 678
type
sequence W
description BINDING SITE FOR RESIDUE H4B B 802
source : AC7

54) chain B
residue 336
type
sequence M
description BINDING SITE FOR RESIDUE 1QE B 803
source : AC8

55) chain B
residue 565
type
sequence P
description BINDING SITE FOR RESIDUE 1QE B 803
source : AC8

56) chain B
residue 567
type
sequence V
description BINDING SITE FOR RESIDUE 1QE B 803
source : AC8

57) chain B
residue 584
type
sequence F
description BINDING SITE FOR RESIDUE 1QE B 803
source : AC8

58) chain B
residue 585
type
sequence S
description BINDING SITE FOR RESIDUE 1QE B 803
source : AC8

59) chain B
residue 586
type
sequence G
description BINDING SITE FOR RESIDUE 1QE B 803
source : AC8

60) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE 1QE B 803
source : AC8

61) chain B
residue 592
type
sequence E
description BINDING SITE FOR RESIDUE 1QE B 803
source : AC8

62) chain B
residue 417
type
sequence G
description BINDING SITE FOR RESIDUE ACT B 804
source : AC9

63) chain B
residue 587
type
sequence W
description BINDING SITE FOR RESIDUE ACT B 804
source : AC9

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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


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