Structure of PDB 5msx Chain A Binding Site BS01

Receptor Information

>5msx Chain A (length=439) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HNNPFGNALIPDMIADASIQEINGVFYCYATTDGYGQGLKTSGPPVVWKS
KDFVHWSFDGTYFPSAAKEKYWAPSKAIFANGKYYIYPTINGYMYPAVAD
KPEGPFKLARGKDEFYKPFTPSTLLQSKNPGGIDAEIFVDDDGQAYVFWG
RRHVAKLNEDMITVDSVVQVISTPRKEYSEGPIFFKRKGIYYYLYTIGGD
EKYQYAYVMSRVSPMGPFEAPEQDIISTTNYERGIFGPGHGCVFHPEGTD
NYYFAYLEFGRRSTNRQTYVNQLKFNEDGTIRPVELTMDGVGALKKVKSD
KKMKIDTVYASSIEVPLKIEPMKDPTCLRTEYFVPSFAVDGANGSRWMAA
AEDSINPWIVADLGTVKKVRRSEIYFVRPTAGHAYVIEASMDGKVWQEFA
VHQDRKMCSPHTDVLNKRFRYLRIKILKGVPGIWEWNIY

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

5msx Chain A Residue 503 [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	5msx Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	F358 D361 A363 S366 W455 E456
Binding residue (residue number reindexed from 1)	F337 D340 A342 S345 W434 E435
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798	hydrolase activity, acting on glycosyl bonds
GO:0046872	metal ion binding

	Biological Process
GO:0005975	carbohydrate metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:5msx, PDBe:5msx, PDBj:5msx
PDBsum	5msx
PubMed	28329766
UniProt	Q8A1J9

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