Structure of PDB 7xy9 Chain B Binding Site BS02

Receptor Information

>7xy9 Chain B (length=344) Species: 29323 (Thermoanaerobacter brockii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HHKGFAMLSIGKVGWIEKEKPAPGPFDAIVRPLAVAPCTSDIHTVFEGAI
GERHNMILGHEAVGEVVEVGSEVKDFKPGDRVVVPANTPDWRTSEVQRGY
HQHSGGMLAGWKFSNVKDGVFGEFFHVNDADMNLAHLPKEIPLEAAVMIP
DMMTTGFHGAELADIELGATVAVLGIGPVGLMAVAGAKLRGAGRIIAVGS
RPVCVDAAKYYGATDIVNYKDGPIESQIMNLTEGKGVDAAIIAGGNADIM
ATAVKIVKPGGTIANVNYFPRLEWGCGMAHKTIKGGLCPGGRLRMERLID
LVFYKRVDPSKLVTHVFRGFDNIEKAFMLMKDKPKDLIKPVVIL

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

7xy9 Chain B Residue 502 [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	7xy9 Cryo-EM structure of secondary alcohol dehydrogenases TbSADH after carrier-free immobilization based on weak intermolecular interactions
Resolution	2.12 Å
Binding residue (original residue number in PDB)	H100 H102 H157 C295
Binding residue (residue number reindexed from 1)	H101 H103 H158 C288
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.1.1.80: isopropanol dehydrogenase (NADP(+)).

Gene Ontology

	Molecular Function
GO:0008270	zinc ion binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding
GO:0050009	isopropanol dehydrogenase (NADP+) activity

View graph for
Molecular Function

External links

PDB	RCSB:7xy9, PDBe:7xy9, PDBj:7xy9
PDBsum	7xy9
PubMed	37055470
UniProt	P14941\|ADH_THEBR NADP-dependent isopropanol dehydrogenase (Gene Name=adh)

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