Structure of PDB 4chl Chain B Binding Site BS01

Receptor Information
>4chl Chain B (length=237) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPVDAPILLRQMFEPVSCTFTYLLGDRESREAVLIDPVLETAPRDAQLIK
ELGLRLLYAVNTHCHADHITGSGLLRSLLPGCQSVISRLSGAQADLHIED
GDSIRFGRFALETRASPGHTPGCVTFVLNDHSMAFTGDALLIRGCGRTDF
QQGCAKTLYHSVHEKIFTLPGDCLIYPAHDYHGFTVSTVEEERTLNPRLT
LSCEEFVKIMGNLNLPKPQQIDFAVPANMRCGVQTPT
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4chl Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4chl Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy.
Resolution2.61 Å
Binding residue
(original residue number in PDB)		H79 H135 D154
Binding residue
(residue number reindexed from 1)		H63 H119 D138
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H79 H81 D83 H84 H135 D154 H195
Catalytic site (residue number reindexed from 1) H63 H65 D67 H68 H119 D138 H179
Enzyme Commision number 1.13.11.18: persulfide dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0005515 protein binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:0050313 sulfur dioxygenase activity
GO:0051213 dioxygenase activity
Biological Process
GO:0006749 glutathione metabolic process
GO:0070813 hydrogen sulfide metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4chl, PDBe:4chl, PDBj:4chl
PDBsum4chl
PubMed25596185
UniProtO95571|ETHE1_HUMAN Persulfide dioxygenase ETHE1, mitochondrial (Gene Name=ETHE1)

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