Structure of PDB 1v4w Chain B Binding Site BS01
Receptor Information
>1v4w Chain B (length=146) Species:
8237
(Thunnus thynnus) [
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VEWTQQERSIIAGIFANLNYEDIGPKALARCLIVYPWTQRYFGAYGDLST
PDAIKGNAKIAAHGVKVLHGLDRAVKNMDNINEAYSELSVLHSDKLHVDP
DNFRILGDCLTVVIAANLGDAFTVETQCAFQKFLAVVVFALGRKYH
Ligand information
Ligand ID
HEM
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
1v4w Chain B Residue 147 [
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Receptor-Ligand Complex Structure
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PDB
1v4w
Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
Y41 F42 Y45 H63 V67 L88 H92 L96 N102 F103
Binding residue
(residue number reindexed from 1)
Y41 F42 Y45 H63 V67 L88 H92 L96 N102 F103
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0004601
peroxidase activity
GO:0005344
oxygen carrier activity
GO:0019825
oxygen binding
GO:0020037
heme binding
GO:0031720
haptoglobin binding
GO:0043177
organic acid binding
GO:0046872
metal ion binding
Biological Process
GO:0015671
oxygen transport
GO:0042744
hydrogen peroxide catabolic process
GO:0098869
cellular oxidant detoxification
Cellular Component
GO:0005833
hemoglobin complex
GO:0031838
haptoglobin-hemoglobin complex
GO:0072562
blood microparticle
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1v4w
,
PDBe:1v4w
,
PDBj:1v4w
PDBsum
1v4w
PubMed
15117955
UniProt
Q8AYM1
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