Structure of PDB 8fun Chain A Binding Site BS01

Receptor Information

>8fun Chain A (length=350) Species: 1219028 (Rhodococcus wratislaviensis NBRC 100605) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VPAVVDCDVHAVLPSPHSLIPYLDEYWADQLVAQLAPTYEPNYHPRGSAI
AQHSDASVDENGRAATTAENLVKDVFADGFTDFAVVNCLYGVQQIHQPRR
EMAHARALNHWIANEWLDKDDRLRASIVVPQGSPRAAAEEIDFWSGDKRF
VQVLLLGQSELLYGREINWPIWEAAEAAGLPVTLHIGGVFRQAPTSVGWP
ASHLEWYVGQQSNIEAQLNSIISEGILQKFPKTKILLSELGFNWLPPFMW
KFDKLWKSYRPDIPWVQESPLELIREHVRVTTSPSDGAEEAGRLDSIVDR
LGSDRMLVYSSDYPHKHHSGPRDIENGTHSPELLDRIYRRNAFDLYNLVV

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

8fun Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8fun Enzymatic Hydroxylation of Aliphatic C-H Bonds by a Mn/Fe Cofactor.
Resolution	2.24 Å
Binding residue (original residue number in PDB)	D36 H38 H213 E267 D340
Binding residue (residue number reindexed from 1)	D8 H10 H185 E239 D312
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0016829	lyase activity
GO:0016831	carboxy-lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0019748	secondary metabolic process

	Cellular Component
GO:0005737	cytoplasm

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Molecular Function

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Cellular Component

External links

PDB	RCSB:8fun, PDBe:8fun, PDBj:8fun
PDBsum	8fun
PubMed	37471626
UniProt	A0A402C2V4

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