Structure of PDB 7k4w Chain A Binding Site BS01

Receptor Information

>7k4w Chain A (length=286) Species: 5087 (Thermoascus aurantiacus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AQSIDQLIKARGKVYFGVATDQNRLTTGKNAAIIKADFGMVWPEESMQWD
ATEPSQGNFNFAGADYLVNWAQQNGKLIGAGCLVWHNFLPSWVSSITDKN
TLINVMKNHITTLMTRYKGKIRTWDVVGEAFNEDGSLRQNVFLNVIGEDY
IPIAFQTARAADPNAKLYIMDYNLDSASYPKTQAIVNRVKQWRAAGVPID
GIGSQMHLSAGQGAGVLQALPLLASAGTPEVSILMLDVAGASPTDYVNVV
NACLNVQSCVGITVMGLFDGNFNPKPAYNAIVQNLQ

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

7k4w 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	7k4w How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	H209 Q214
Binding residue (residue number reindexed from 1)	H207 Q212
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.2.1.8: endo-1,4-beta-xylanase.

Gene Ontology

	Molecular Function
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798	hydrolase activity, acting on glycosyl bonds
GO:0031176	endo-1,4-beta-xylanase activity

	Biological Process
GO:0005975	carbohydrate metabolic process
GO:0045493	xylan catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:7k4w, PDBe:7k4w, PDBj:7k4w
PDBsum	7k4w
PubMed	33214289
UniProt	P23360\|XYNA_THEAU Endo-1,4-beta-xylanase (Gene Name=XYNA)

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