Structure of PDB 4wa0 Chain A Binding Site BS01

Receptor Information

>4wa0 Chain A (length=358) Species: 632348 (Caldicellulosiruptor kronotskyensis 2002) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TSVPSSPLDYAIFSKGALNTNKNLTVENGSVYSGGDLTIDGGAVFNIDNL
ISKGEMVINQDSDSRCRDNNIVVRNIIYVEKSLKANRISPRSTNIDAKTI
YVGQEMQLYGAGSYKFVQLFSDSNVKLAGPGVNMEVSTLASIRGTLEVID
GATVTLKSNSAVYCNSLVVRNGSRLILENGAKLYLATTPDASTIISIQNN
GGTISYSSSFSYPSPPAEIDEIRNRDYTSGLLTTPLPADSVGSNQLGSTA
DTSQTPPQIVIYGESYINDNEARIEISARLGSPIVDFSTLQLHLISRGNI
TFVGGGLTIMNGSIISLGSTFNINATGNPYAGLTLKYQMPSPPIQQDIES
NTGIQPSQ

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

4wa0 Chain A Residue 601 [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	4wa0 Discrete and Structurally Unique Proteins (Tapirins) Mediate Attachment of Extremely Thermophilic Caldicellulosiruptor Species to Cellulose.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	D473 V475 S477 L480 E509
Binding residue (residue number reindexed from 1)	D239 V241 S243 L246 E275
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:4wa0, PDBe:4wa0, PDBj:4wa0
PDBsum	4wa0
PubMed	25720489
UniProt	E4SDB5

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