Structure of PDB 6ydu Chain D Binding Site BS01

Receptor Information
>6ydu Chain D (length=515) Species: 595536 (Methylosinus trichosporium OB3b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DALKVNRAPVGVEPQEVHKWLQSFNWDFKENRTKYPTKYHMANETKEQFK
VIAKEYARMEAAKDERQFGTLLDGLTRLGAGNKVHPRWGETMKVISNFLE
VGEYNAIAASAMLWDSATAAEQKNGYLAQVLDEIRHTHQCAFINHYYSKH
YHDPAGHNDARRTRAIGPLWKGMKRVFADGFISGDAVECSVNLQLVGEAC
FTNPLIVAVTEWASANGDEITPTVFLSVETDELRHMANGYQTVVSIANDP
ASAKFLNTDLNNAFWTQQKYFTPVLGYLFEYGSKFKVEPWVKTWNRWVYE
DWGGIWIGRLGKYGVESPASLRDAKRDAYWAHHDLALAAYAMWPLGFARL
ALPDEEDQAWFEANYPGWADHYGKIFNEWKKLGYEDPKSGFIPYQWLLAN
GHDVYIDRVSQVPFIPSLAKGTGSLRVHEFNGKKHSLTDDWGERQWLIEP
ERYECHNVFEQYEGRELSEVIAEGHGVRSDGKTLIAQPHTRGDNLWTLED
IKRAGCVFPDPLAKF
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 chain6ydu Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ydu High-Resolution XFEL Structure of the Soluble Methane Monooxygenase Hydroxylase Complex with its Regulatory Component at Ambient Temperature in Two Oxidation States.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E144 E209 E243 H246
Binding residue
(residue number reindexed from 1)		E133 E198 E232 H235
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E114 E144 H147 E209 E243 H246
Catalytic site (residue number reindexed from 1) E103 E133 H136 E198 E232 H235
Enzyme Commision number 1.14.13.25: methane monooxygenase (soluble).
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0015049 methane monooxygenase [NAD(P)H] activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006730 one-carbon metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6ydu, PDBe:6ydu, PDBj:6ydu
PDBsum6ydu
PubMed
UniProtP27353|MEMA_METTR Methane monooxygenase component A alpha chain (Gene Name=mmoX)

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