Structure of PDB 3ia7 Chain A Binding Site BS02

Receptor Information

>3ia7 Chain A (length=397) Species: 1877 (Micromonospora echinospora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MRQRHILFANVQGHGHVYPSLGLVSELARRGHRITYVTTPLFADEVKAAG
AEVVLYKSEFDTFHVPEVVKQEDAETQLHLVYVRENVAILRAAEEALGDN
PPDLVVYDVFPFIAGRLLAARWDRPAVRLTGGFAANEHYSLFKELWKSNG
QRHPADVEAVHSVLVDLLGKYGVDTPVKEYWDEIEGLTIVFLPKSFQPFA
ETFDERFAFVGPTLTGPGWQPPRPDAPVLLVSLGNQFNEHPEFFRACAQA
FADTPWHVVMAIGGFLDPAVLGPLPPNVEAHQWIPFHSVLAHARACLTHG
TTGAVLEAFAAGVPLVLVPHFATEAAPSAERVIELGLGSVLRPDQLEPAS
IREAVERLAADSAVRERVRRMQRDILSSGGPARAADEVEAYLGRVAP

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

3ia7 Chain B Residue 402 [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	3ia7 Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity.
Resolution	1.91 Å
Binding residue (original residue number in PDB)	Q224 H296
Binding residue (residue number reindexed from 1)	Q220 H292
Annotation score	4

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0008194	UDP-glycosyltransferase activity
GO:0016740	transferase activity
GO:0016757	glycosyltransferase activity
GO:0016758	hexosyltransferase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009058	biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:3ia7, PDBe:3ia7, PDBj:3ia7
PDBsum	3ia7
PubMed	21987796
UniProt	Q8KNC3

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