eF-site ID 3g4y-AB
PDB Code 3g4y
Chain A, B

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Title Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloromethyl benzene bound to the XE4 cavity
Classification OXYGEN BINDING
Compound GLOBIN-1
Source null (GLB1_SCAIN)
Sequence A:  SVYDAAAQLTADVKKDLRDSWKVIGSDKKGNGVALMTTLF
ADNQETIGYFKRLGDVSQGMANDKLRGHSITLMYALQNFI
DQLDNPDDLVCVVEKFAVNHITRKISAAEFGKINGPIKKV
LASKNFGDKYANAWAKLVAVVQAAL
B:  SVYDAAAQLTADVKKDLRDSWKVIGSDKKGNGVALMTTLF
ADNQETIGYFKRLGDVSQGMANDKLRGHSITLMYALQNFI
DQLDNPDDLVCVVEKFAVNHITRKISAAEFGKINGPIKKV
LASKNFGDKYANAWAKLVAVVQAAL
Description


Functional site

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

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

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

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

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

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

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

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

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

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

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

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

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

14) chain A
residue 25
type
sequence I
description BINDING SITE FOR RESIDUE 9CL A 151
source : AC3

15) chain A
residue 74
type
sequence M
description BINDING SITE FOR RESIDUE 9CL A 151
source : AC3

16) chain A
residue 121
type
sequence V
description BINDING SITE FOR RESIDUE 9CL A 151
source : AC3

17) chain A
residue 135
type
sequence W
description BINDING SITE FOR RESIDUE 9CL A 151
source : AC3

18) chain A
residue 96
type
sequence K
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

19) chain A
residue 100
type
sequence N
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

20) chain B
residue 50
type
sequence Y
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

21) chain B
residue 51
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

22) chain B
residue 53
type
sequence R
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

23) chain B
residue 77
type
sequence L
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

24) chain B
residue 100
type
sequence N
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

25) chain B
residue 101
type
sequence H
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

26) chain B
residue 104
type
sequence R
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

27) chain B
residue 110
type
sequence E
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

28) chain B
residue 111
type
sequence F
description BINDING SITE FOR RESIDUE HEM B 147
source : AC4

29) chain B
residue 37
type
sequence M
description BINDING SITE FOR RESIDUE CMO B 148
source : AC5

30) chain B
residue 51
type
sequence F
description BINDING SITE FOR RESIDUE CMO B 148
source : AC5

31) chain B
residue 69
type
sequence H
description BINDING SITE FOR RESIDUE CMO B 148
source : AC5

32) chain B
residue 73
type
sequence L
description BINDING SITE FOR RESIDUE CMO B 148
source : AC5

33) chain B
residue 25
type
sequence I
description BINDING SITE FOR RESIDUE 9CL B 150
source : AC6

34) chain B
residue 74
type
sequence M
description BINDING SITE FOR RESIDUE 9CL B 150
source : AC6

35) chain B
residue 77
type
sequence L
description BINDING SITE FOR RESIDUE 9CL B 150
source : AC6

36) chain B
residue 121
type
sequence V
description BINDING SITE FOR RESIDUE 9CL B 150
source : AC6

37) chain B
residue 122
type
sequence L
description BINDING SITE FOR RESIDUE 9CL B 150
source : AC6

38) chain B
residue 135
type
sequence W
description BINDING SITE FOR RESIDUE 9CL B 150
source : AC6

39) chain A
residue 101
type BINDING
sequence H
description proximal binding residue
source Swiss-Prot : SWS_FT_FI1

40) chain B
residue 101
type BINDING
sequence H
description proximal binding residue
source Swiss-Prot : SWS_FT_FI1


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