Structure of PDB 6ydi Chain D Binding Site BS02

Receptor Information
>6ydi Chain D (length=511) Species: 595536 (Methylosinus trichosporium OB3b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNRAPVGVEPQEVHKWLQSFNWDFKENRTKYPTKYHMANETKEQFKVIAK
EYARMEAAKDERQFGTLLDGLTRLGAGNKVHPRWGETMKVISNFLEVGEY
NAIAASAMLWDSATAAEQKNGYLAQVLDEIRHTHQCAFINHYYSKHYHDP
AGHNDARRTRAIGPLWKGMKRVFADGFISGDAVECSVNLQLVGEACFTNP
LIVAVTEWASANGDEITPTVFLSVETDELRHMANGYQTVVSIANDPASAK
FLNTDLNNAFWTQQKYFTPVLGYLFEYGSKFKVEPWVKTWNRWVYEDWGG
IWIGRLGKYGVESPASLRDAKRDAYWAHHDLALAAYAMWPLGFARLALPD
EEDQAWFEANYPGWADHYGKIFNEWKKLGYEDPKSGFIPYQWLLANGHDV
YIDRVSQVPFIPSLAKGTGSLRVHEFNGKKHSLTDDWGERQWLIEPERYE
CHNVFEQYEGRELSEVIAEGHGVRSDGKTLIAQPHTRGDNLWTLEDIKRA
GCVFPDPLAKF
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain6ydi Chain D Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ydi 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)		E129 E194 E228 H231
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E114 E144 H147 E209 E243 H246
Catalytic site (residue number reindexed from 1) E99 E129 H132 E194 E228 H231
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:6ydi, PDBe:6ydi, PDBj:6ydi
PDBsum6ydi
PubMed
UniProtP27353|MEMA_METTR Methane monooxygenase component A alpha chain (Gene Name=mmoX)

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