eF-site ID 3g46-A
PDB Code 3g46
Chain A

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

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

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

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

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

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

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

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

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

20) 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

21) 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

22) 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

23) 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

24) 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

25) 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

26) 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

27) 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

28) 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

29) 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

30) 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

31) 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

32) 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

33) 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

34) 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

35) 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

36) 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

37) 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

38) 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


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