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2Z8A

Ligand Migration and Binding in The Dimeric Hemoglobin of Scapharca Inaequivalvis: I25W with CO Bound to HEME and in the Presence of 3 Atoms of XE

Functional Information from GO Data
ChainGOidnamespacecontents
A0001666biological_processresponse to hypoxia
A0005344molecular_functionoxygen carrier activity
A0005737cellular_componentcytoplasm
A0015671biological_processoxygen transport
A0019825molecular_functionoxygen binding
A0020037molecular_functionheme binding
A0042802molecular_functionidentical protein binding
A0046872molecular_functionmetal ion binding
B0001666biological_processresponse to hypoxia
B0005344molecular_functionoxygen carrier activity
B0005737cellular_componentcytoplasm
B0015671biological_processoxygen transport
B0019825molecular_functionoxygen binding
B0020037molecular_functionheme binding
B0042802molecular_functionidentical protein binding
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 B 5402
ChainResidue
BTHR2011
BASP2013
BHOH9038
BHOH9197
BHOH9366
BHOH9379

site_idAC2
Number of Residues22
DetailsBINDING SITE FOR RESIDUE HEM A 1147
ChainResidue
AHIS1069
ALEU1073
ALEU1077
APHE1097
AASN1100
AHIS1101
AARG1104
AGLU1110
APHE1111
ACMO1148
AXE5505
AHOH9012
AHOH9033
AHOH9068
AHOH9075
AHOH9076
BLYS2096
BASN2100
BHOH9044
ATYR1050
APHE1051
AARG1053

site_idAC3
Number of Residues21
DetailsBINDING SITE FOR RESIDUE HEM B 2147
ChainResidue
ALYS1096
AASN1100
AHOH9001
AHOH9069
BTYR2050
BPHE2051
BARG2053
BHIS2069
BLEU2073
BPHE2097
BASN2100
BHIS2101
BARG2104
BGLU2110
BPHE2111
BCMO2148
BXE5506
BHOH9011
BHOH9040
BHOH9044
BHOH9110

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CMO A 1148
ChainResidue
AMET1037
APHE1051
AHIS1069
ALEU1073
AHEM1147

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CMO B 2148
ChainResidue
BMET2037
BPHE2051
BHIS2069
BLEU2073
BHEM2147

site_idAC6
Number of Residues1
DetailsBINDING SITE FOR RESIDUE XE B 5502
ChainResidue
BLEU2077

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE XE A 5505
ChainResidue
APHE1097
APHE1111
AHEM1147

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE XE B 5506
ChainResidue
BPHE2097
BPHE2111
BHEM2147

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: proximal binding residue
ChainResidueDetails
AHIS1101
BHIS2101

226707

PDB entries from 2024-10-30

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