Structure of PDB 3kcp Chain A Binding Site BS02

Receptor Information

>3kcp Chain A (length=303) Species: 203119 (Acetivibrio thermocellus ATCC 27405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KLTLKIGRAEGRPGDTVEIPVNLYGVPQKGIASGDFVVSYDPNVLEIIEI
EPGELIVDPNPTKSFDTAVYPDRKMIVFLFAEDSGTGAYAITEDGVFATI
VAKVKEGAPEGFSAIEISEFGAFADNDLVEVETDLINGGVLVTNKPVIEG
YKVSGYILPDFSFDATVAPLVKAGFKVEIVGTELYAVTDANGYFEITGVP
ANASGYTLKISRATYLDRVIANVVVTGDTSVSTSQAPIMMWVGDIVKDNS
INLLDVAEVIRCFNATKGSANYVEELDINRNGAINMQDIMIVHKHFGATS
SDY

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

3kcp Chain A Residue 702 [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	3kcp Insights into Higher-Order Organization of the Cellulosome Revealed by a Dissect-and-Build Approach: Crystal Structure of Interacting Clostridium thermocellum Multimodular Components
Resolution	1.94 Å
Binding residue (original residue number in PDB)	D251 V253 D255 S257 D262
Binding residue (residue number reindexed from 1)	D244 V246 D248 S250 D255
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0004553	hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246	carbohydrate binding

	Biological Process
GO:0000272	polysaccharide catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:3kcp, PDBe:3kcp, PDBj:3kcp
PDBsum	3kcp
PubMed	20070943
UniProt	Q06851\|CIPA_ACET2 Cellulosomal-scaffolding protein A (Gene Name=cipA)

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