Structure of PDB 7v0i Chain C Binding Site BS06

Receptor Information

>7v0i Chain C (length=451) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DYNYGEALQKAIMFYEFQMSGKLPDNIRNNWRGDSCLGDGSDVGLDLTGG
WFDAGDHVKFNLPMAYTATMLAWAVYEYKDALQKSGQLGYLMDQIKWASD
YFIRCHPEKYVYYYQVGNGDMDHRWWVPAECIDVQAPRPSYKVDLSNPGS
TVTAGTAAALAATALVFKDTDPAYAALCIRHAKELFDFAETTMSDKGYTA
ALNFYTSHSGWYDELSWAGAWIYLADGDETYLEKAEKYVDKWPIESQTTY
IAYSWGHCWDDVHYGAALLLAKITNKSLYKEAIERHLDYWTVGFNGQRVR
YTPKGLAHLTDWGVLRHATTTAFLACVYSDWSECPREKANIYIDFAKKQA
DYALGSSGRSYVVGFGVNPPQHPHHRTAHSSWCDSQKVPEYHRHVLYGAL
VGGPDASDAYVDDIGNYVTNQVACDYNAGFVGLLAKMYEKYGGNPIPNFM
A

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

7v0i Chain C Residue 500 [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	7v0i Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	S227 G228 D231 E232 D278
Binding residue (residue number reindexed from 1)	S209 G210 D213 E214 D260
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.2.1.-

Gene Ontology

	Molecular Function
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds

	Biological Process
GO:0005975	carbohydrate metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:7v0i, PDBe:7v0i, PDBj:7v0i
PDBsum	7v0i
PubMed	36990218
UniProt	A3DCY5

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