Structure of PDB 3i3o Chain H Binding Site BS01

Receptor Information

>3i3o Chain H (length=270) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HQNKQPGIESLMNPLPQFEDPNYKGSEKLKGKNVLITGGDSGIGRAVSIA
FAKEGANIAIAYLDEEGDANETKQYVEKEGVKCVLLPGDLSDEQHCKDIV
QETVRQLGSLNILVNNVAQQYPQQGLEYITAEQLEKTFRINIFSYFHVTK
AALSHLKQGDVIINTASIVAYEGNETLIDYSATKGAIVAFTRSLSQSLVQ
KGIRVNGVAPGPIWTPLIPSSFSQFGSNVPMQRPGQPYELAPAYVYLASS
DSSYVTGQMIHVNGGVIVNG

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

3i3o Chain H Residue 307 [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	3i3o 2.06 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD-acetone
Resolution	2.06 Å
Binding residue (original residue number in PDB)	D53 S54 E78
Binding residue (residue number reindexed from 1)	D40 S41 E65
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	G55 S180 L190 Y193 K197
Catalytic site (residue number reindexed from 1)	G42 S167 L177 Y180 K184
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0016491	oxidoreductase activity
GO:0016614	oxidoreductase activity, acting on CH-OH group of donors
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:3i3o, PDBe:3i3o, PDBj:3i3o
PDBsum	3i3o
PubMed
UniProt	A0A6L8PL20

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