eF-site ID 3g46-AB
PDB Code 3g46
Chain A, B

click to enlarge
Title Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity
Classification OXYGEN BINDING
Compound Globin-1
Source (GLB1_SCAIN)
Sequence A:  PSVYDAAAQLTADVKKDLRDSWKVIGSDKKGNGVALMTTL
FADNQETIGYFKRLGDVSQGMANDKLRGHSITLMYALQNF
IDQLDNPDDLVCVVEKFAVNHITRKISAAEFGKINGPIKK
VLASKNFGDKYANAWAKLVAVVQAAL
B:  PSVYDAAAQLTADVKKDLRDSWKVIGSDKKGNGVALMTTL
FADNQETIGYFKRLGDVSQGMANDKLRGHSITLMYALQNF
IDQLDNPDDLVCVVEKFAVNHITRKISAAEFGKINGPIKK
VLASKNFGDKYANAWAKLVAVVQAAL
Description (1)  Globin-1


Functional site

1) chain A
residue 50
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

2) chain A
residue 51
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

3) chain A
residue 53
type
ligand
sequence R
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

4) chain A
residue 69
type
ligand
sequence H
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

5) chain A
residue 73
type
ligand
sequence L
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

6) chain A
residue 100
type
ligand
sequence N
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

7) chain A
residue 101
type
ligand
sequence H
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

8) chain A
residue 104
type
ligand
sequence R
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

9) chain A
residue 110
type
ligand
sequence E
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

10) chain A
residue 111
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

11) chain B
residue 96
type
ligand
sequence K
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

12) chain B
residue 100
type
ligand
sequence N
description BINDING SITE FOR RESIDUE HEM A 147
source : AC1

13) chain A
residue 37
type
ligand
sequence M
description BINDING SITE FOR RESIDUE CMO A 148
source : AC2

14) chain A
residue 51
type
ligand
sequence F
description BINDING SITE FOR RESIDUE CMO A 148
source : AC2

15) chain A
residue 69
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CMO A 148
source : AC2

16) chain A
residue 73
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CMO A 148
source : AC2

17) chain A
residue 36
type
ligand
sequence L
description BINDING SITE FOR RESIDUE XE A 149
source : AC3

18) chain A
residue 97
type
ligand
sequence F
description BINDING SITE FOR RESIDUE XE A 151
source : AC4

19) chain A
residue 111
type
ligand
sequence F
description BINDING SITE FOR RESIDUE XE A 151
source : AC4

20) chain A
residue 96
type
ligand
sequence K
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

21) chain A
residue 100
type
ligand
sequence N
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

22) chain B
residue 50
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

23) chain B
residue 51
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

24) chain B
residue 53
type
ligand
sequence R
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

25) chain B
residue 73
type
ligand
sequence L
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

26) chain B
residue 97
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

27) chain B
residue 100
type
ligand
sequence N
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

28) chain B
residue 101
type
ligand
sequence H
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

29) chain B
residue 104
type
ligand
sequence R
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

30) chain B
residue 110
type
ligand
sequence E
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

31) chain B
residue 111
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM B 147
source : AC5

32) chain B
residue 37
type
ligand
sequence M
description BINDING SITE FOR RESIDUE CMO B 148
source : AC6

33) chain B
residue 51
type
ligand
sequence F
description BINDING SITE FOR RESIDUE CMO B 148
source : AC6

34) chain B
residue 69
type
ligand
sequence H
description BINDING SITE FOR RESIDUE CMO B 148
source : AC6

35) chain B
residue 73
type
ligand
sequence L
description BINDING SITE FOR RESIDUE CMO B 148
source : AC6

36) chain B
residue 74
type
ligand
sequence M
description BINDING SITE FOR RESIDUE XE B 150
source : AC7

37) chain B
residue 97
type
ligand
sequence F
description BINDING SITE FOR RESIDUE XE B 151
source : AC8

38) chain B
residue 111
type
ligand
sequence F
description BINDING SITE FOR RESIDUE XE B 151
source : AC8

39) chain A
residue 36
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence L
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

40) chain A
residue 40
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence L
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

41) chain A
residue 47
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence T
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

42) chain A
residue 50-51
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence YF
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

43) chain A
residue 53-54
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence RL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

44) chain A
residue 69
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence H
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

45) chain A
residue 72-73
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence TL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

46) chain A
residue 76-77
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence AL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

47) chain A
residue 80
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence F
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

48) chain A
residue 97
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence F
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

49) chain A
residue 100-101
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence NH
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

50) chain A
residue 104
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence R
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

51) chain A
residue 106
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence I
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

52) chain A
residue 110-111
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence EF
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

53) chain A
residue 113-114
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence KI
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

54) chain A
residue 118
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence I
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

55) chain A
residue 139
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence V
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

56) chain B
residue 96
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence K
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

57) chain B
residue 100
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence N
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_A_147

58) chain A
residue 96
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence K
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

59) chain A
residue 100
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence N
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

60) chain B
residue 40
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence L
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

61) chain B
residue 47
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence T
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

62) chain B
residue 50-51
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence YF
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

63) chain B
residue 53-54
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence RL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

64) chain B
residue 69
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence H
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

65) chain B
residue 72-73
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence TL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

66) chain B
residue 76-77
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence AL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

67) chain B
residue 80
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence F
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

68) chain B
residue 97
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence F
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

69) chain B
residue 100-101
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence NH
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

70) chain B
residue 104
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence R
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

71) chain B
residue 106
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence I
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

72) chain B
residue 110-111
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence EF
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

73) chain B
residue 113-114
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence KI
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147

74) chain B
residue 118
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence I
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_3g46_B_147


Display surface

Download
Links