eF-site ID 103m-A
PDB Code 103m
Chain A

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Title SPERM WHALE MYOGLOBIN H64A N-BUTYL ISOCYANIDE AT PH 9.0
Classification OXYGEN TRANSPORT
Compound MYOGLOBIN
Source Physeter catodon (Sperm whale) (Physeter macrocephalus) (MYG_PHYCA)
Sequence A:  MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPET
LEKFDRFKHLKTEAEMKASEDLKKAGVTVLTALGAILKKK
GHHEAELKPLAQSHATKHKIPIKYLEFISEAIIHVLHSRH
PGNFGADAQGAMNKALELFRKDIAAKYKELGYQG
Description (1)  MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, N-BUTYL ISOCYANIDE


Functional site

1) chain A
residue 4
type
ligand
sequence E
description BINDING SITE FOR RESIDUE SO4 A 157
source : AC1

2) chain A
residue 51
type
ligand
sequence T
description BINDING SITE FOR RESIDUE SO4 A 157
source : AC1

3) chain A
residue 52
type
ligand
sequence E
description BINDING SITE FOR RESIDUE SO4 A 157
source : AC1

4) chain A
residue 42
type
ligand
sequence K
description BINDING SITE FOR RESIDUE HEM A 155
source : AC2

5) chain A
residue 43
type
ligand
sequence F
description BINDING SITE FOR RESIDUE HEM A 155
source : AC2

6) chain A
residue 45
type
ligand
sequence R
description BINDING SITE FOR RESIDUE HEM A 155
source : AC2

7) chain A
residue 89
type
ligand
sequence L
description BINDING SITE FOR RESIDUE HEM A 155
source : AC2

8) chain A
residue 92
type
ligand
sequence S
description BINDING SITE FOR RESIDUE HEM A 155
source : AC2

9) chain A
residue 93
type
ligand
sequence H
description BINDING SITE FOR RESIDUE HEM A 155
source : AC2

10) chain A
residue 97
type
ligand
sequence H
description BINDING SITE FOR RESIDUE HEM A 155
source : AC2

11) chain A
residue 103
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE HEM A 155
source : AC2

12) chain A
residue 43
type
ligand
sequence F
description BINDING SITE FOR RESIDUE NBN A 156
source : AC3

13) chain A
residue 64
type
ligand
sequence A
description BINDING SITE FOR RESIDUE NBN A 156
source : AC3

14) chain A
residue 68
type
ligand
sequence V
description BINDING SITE FOR RESIDUE NBN A 156
source : AC3

15) chain A
residue 65
type METAL
ligand
sequence G
description Iron (heme distal ligand). {ECO:0000255|PROSITE-ProRule:PRU00238, ECO:0000269|PubMed:845959}
source Swiss-Prot : SWS_FT_FI1

16) chain A
residue 94
type METAL
ligand
sequence A
description Iron (heme proximal ligand). {ECO:0000255|PROSITE-ProRule:PRU00238, ECO:0000269|PubMed:845959}
source Swiss-Prot : SWS_FT_FI2

17) chain A
residue 29
type binding
ligand NBN: N-BUTYL ISOCYANIDE
sequence L
description N-BUTYL ISOCYANIDE binding site
source pdb_hetatom : NBN_103m_A_156

18) chain A
residue 43
type binding
ligand NBN: N-BUTYL ISOCYANIDE
sequence F
description N-BUTYL ISOCYANIDE binding site
source pdb_hetatom : NBN_103m_A_156

19) chain A
residue 45-46
type binding
ligand NBN: N-BUTYL ISOCYANIDE
sequence RF
description N-BUTYL ISOCYANIDE binding site
source pdb_hetatom : NBN_103m_A_156

20) chain A
residue 64
type binding
ligand NBN: N-BUTYL ISOCYANIDE
sequence A
description N-BUTYL ISOCYANIDE binding site
source pdb_hetatom : NBN_103m_A_156

21) chain A
residue 67-68
type binding
ligand NBN: N-BUTYL ISOCYANIDE
sequence TV
description N-BUTYL ISOCYANIDE binding site
source pdb_hetatom : NBN_103m_A_156

22) chain A
residue 93
type binding
ligand NBN: N-BUTYL ISOCYANIDE
sequence H
description N-BUTYL ISOCYANIDE binding site
source pdb_hetatom : NBN_103m_A_156

23) chain A
residue 32
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence L
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

24) chain A
residue 39
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence T
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

25) chain A
residue 42-43
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence KF
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

26) chain A
residue 45
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence R
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

27) chain A
residue 67-68
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence TV
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

28) chain A
residue 71-72
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence AL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

29) chain A
residue 88-89
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence PL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

30) chain A
residue 92-93
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence SH
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

31) chain A
residue 97
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence H
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

32) chain A
residue 99
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence I
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

33) chain A
residue 103-104
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence YL
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

34) chain A
residue 107
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence I
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

35) chain A
residue 111
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence I
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155

36) chain A
residue 138
type binding
ligand HEM: PROTOPORPHYRIN IX CONTAINING FE
sequence F
description PROTOPORPHYRIN IX CONTAINING FE binding site
source pdb_hetatom : HEM_103m_A_155


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