eF-site ID 2hx3-B
PDB Code 2hx3
Chain B

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Title Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine
Classification OXIDOREDUCTASE
Compound Nitric-oxide synthase
Source Rattus norvegicus (Rat) (NOS1_RAT)
Sequence B:  RFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLP
VRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKE
IESTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVF
DARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTD
GKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQ
QGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGW
YMGTEIGVRDYCDNSRYNILEEVAKKMDLDMRKTSSLWKD
QALVEINIAVLYSFQSDKVTIVDHHSATESFIKHMENEYR
CRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFEYQ
PDPWNTHVWKG
Description (1)  Nitric-oxide synthase (E.C.1.14.13.39)


Functional site

1) chain B
residue 417
type
ligand
sequence G
description BINDING SITE FOR RESIDUE ACT B 860
source : AC2

2) chain B
residue 587
type
ligand
sequence W
description BINDING SITE FOR RESIDUE ACT B 860
source : AC2

3) chain B
residue 649
type
ligand
sequence V
description BINDING SITE FOR RESIDUE ACT B 860
source : AC2

4) chain B
residue 326
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC3

5) chain B
residue 331
type
ligand
sequence C
description BINDING SITE FOR RESIDUE ZN A 900
source : AC3

6) chain B
residue 676
type
ligand
sequence W
description BINDING SITE FOR RESIDUE H4B A 760
source : AC5

7) chain B
residue 691
type
ligand
sequence F
description BINDING SITE FOR RESIDUE H4B A 760
source : AC5

8) chain B
residue 692
type
ligand
sequence H
description BINDING SITE FOR RESIDUE H4B A 760
source : AC5

9) chain B
residue 693
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE H4B A 760
source : AC5

10) chain B
residue 409
type
ligand
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

11) chain B
residue 414
type
ligand
sequence R
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

12) chain B
residue 415
type
ligand
sequence C
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

13) chain B
residue 584
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

14) chain B
residue 585
type
ligand
sequence S
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

15) chain B
residue 587
type
ligand
sequence W
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

16) chain B
residue 589
type
ligand
sequence M
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

17) chain B
residue 592
type
ligand
sequence E
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

18) chain B
residue 706
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE HEM B 750
source : AC7

19) chain B
residue 334
type
ligand
sequence S
description BINDING SITE FOR RESIDUE H4B B 760
source : AC8

20) chain B
residue 596
type
ligand
sequence R
description BINDING SITE FOR RESIDUE H4B B 760
source : AC8

21) chain B
residue 677
type
ligand
sequence V
description BINDING SITE FOR RESIDUE H4B B 760
source : AC8

22) chain B
residue 678
type
ligand
sequence W
description BINDING SITE FOR RESIDUE H4B B 760
source : AC8

23) chain B
residue 478
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE 3HX B 793
source : AC9

24) chain B
residue 565
type
ligand
sequence P
description BINDING SITE FOR RESIDUE 3HX B 793
source : AC9

25) chain B
residue 567
type
ligand
sequence V
description BINDING SITE FOR RESIDUE 3HX B 793
source : AC9

26) chain B
residue 585
type
ligand
sequence S
description BINDING SITE FOR RESIDUE 3HX B 793
source : AC9

27) chain B
residue 586
type
ligand
sequence G
description BINDING SITE FOR RESIDUE 3HX B 793
source : AC9

28) chain B
residue 587
type
ligand
sequence W
description BINDING SITE FOR RESIDUE 3HX B 793
source : AC9

29) chain B
residue 592
type
ligand
sequence E
description BINDING SITE FOR RESIDUE 3HX B 793
source : AC9

30) chain B
residue 414-421
type prosite
ligand
sequence RCVGRIQW
description Nitric oxide synthase (NOS) signature. [GR]-C-[IV]-G-R-[ILS]-x-W
source prosite : PS60001

31) chain B
residue 334-336
type binding
ligand H4B: 5,6,7,8-TETRAHYDROBIOPTERIN
sequence SIM
description 5,6,7,8-TETRAHYDROBIOPTERIN binding site
source pdb_hetatom : H4B_2hx3_B_760

32) chain B
residue 596
type binding
ligand H4B: 5,6,7,8-TETRAHYDROBIOPTERIN
sequence R
description 5,6,7,8-TETRAHYDROBIOPTERIN binding site
source pdb_hetatom : H4B_2hx3_B_760

33) chain B
residue 677-678
type binding
ligand H4B: 5,6,7,8-TETRAHYDROBIOPTERIN
sequence VW
description 5,6,7,8-TETRAHYDROBIOPTERIN binding site
source pdb_hetatom : H4B_2hx3_B_760

34) chain B
residue 306
type binding
ligand H4B: 5,6,7,8-TETRAHYDROBIOPTERIN
sequence W
description 5,6,7,8-TETRAHYDROBIOPTERIN binding site
source pdb_hetatom : H4B_2hx3_A_760

35) chain B
residue 676
type binding
ligand H4B: 5,6,7,8-TETRAHYDROBIOPTERIN
sequence W
description 5,6,7,8-TETRAHYDROBIOPTERIN binding site
source pdb_hetatom : H4B_2hx3_A_760

36) chain B
residue 691-694
type binding
ligand H4B: 5,6,7,8-TETRAHYDROBIOPTERIN
sequence FHQE
description 5,6,7,8-TETRAHYDROBIOPTERIN binding site
source pdb_hetatom : H4B_2hx3_A_760

37) chain B
residue 409
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence W
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

38) chain B
residue 412
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence A
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

39) chain B
residue 414-417
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence RCVG
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

40) chain B
residue 420
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence Q
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

41) chain B
residue 424
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence L
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

42) chain B
residue 457-459
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence SAI
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

43) chain B
residue 570
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence M
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

44) chain B
residue 584-589
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence FSGWYM
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

45) chain B
residue 592
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence E
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

46) chain B
residue 596
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence R
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

47) chain B
residue 649
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence V
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

48) chain B
residue 678
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence W
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

49) chain B
residue 704
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence F
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

50) chain B
residue 706
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence Y
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_2hx3_B_750

51) chain B
residue 416-417
type binding
ligand ACT: ACETATE ION
sequence VG
description ACETATE ION binding site
source pdb_hetatom : ACT_2hx3_B_860

52) chain B
residue 419-420
type binding
ligand ACT: ACETATE ION
sequence IQ
description ACETATE ION binding site
source pdb_hetatom : ACT_2hx3_B_860

53) chain B
residue 587
type binding
ligand ACT: ACETATE ION
sequence W
description ACETATE ION binding site
source pdb_hetatom : ACT_2hx3_B_860

54) chain B
residue 649
type binding
ligand ACT: ACETATE ION
sequence V
description ACETATE ION binding site
source pdb_hetatom : ACT_2hx3_B_860

55) chain B
residue 653-654
type binding
ligand ACT: ACETATE ION
sequence SA
description ACETATE ION binding site
source pdb_hetatom : ACT_2hx3_B_860

56) chain B
residue 657
type binding
ligand ACT: ACETATE ION
sequence S
description ACETATE ION binding site
source pdb_hetatom : ACT_2hx3_B_860

57) chain B
residue 478
type binding
ligand 3HX: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
sequence Q
description (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE binding site
source pdb_hetatom : 3HX_2hx3_B_793

58) chain B
residue 481
type binding
ligand 3HX: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
sequence R
description (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE binding site
source pdb_hetatom : 3HX_2hx3_B_793

59) chain B
residue 565
type binding
ligand 3HX: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
sequence P
description (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE binding site
source pdb_hetatom : 3HX_2hx3_B_793

60) chain B
residue 567
type binding
ligand 3HX: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
sequence V
description (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE binding site
source pdb_hetatom : 3HX_2hx3_B_793

61) chain B
residue 584-589
type binding
ligand 3HX: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
sequence FSGWYM
description (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE binding site
source pdb_hetatom : 3HX_2hx3_B_793

62) chain B
residue 592
type binding
ligand 3HX: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
sequence E
description (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE binding site
source pdb_hetatom : 3HX_2hx3_B_793

63) chain B
residue 597
type binding
ligand 3HX: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
sequence D
description (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE binding site
source pdb_hetatom : 3HX_2hx3_B_793

64) chain B
residue 678
type binding
ligand 3HX: (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE
sequence W
description (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE binding site
source pdb_hetatom : 3HX_2hx3_B_793

65) chain B
residue 415
type catalytic
ligand
sequence C
description Annotated By Reference To The Literature 3nos
source CSA : CSA2

66) chain B
residue 587
type catalytic
ligand
sequence W
description Annotated By Reference To The Literature 3nos
source CSA : CSA2

67) chain B
residue 592
type catalytic
ligand
sequence E
description Annotated By Reference To The Literature 3nos
source CSA : CSA2

68) chain B
residue 418
type catalytic
ligand
sequence R
description Annotated By Reference To The Literature 3nos
source CSA : CSA2


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