Structure of PDB 7ux4 Chain A Binding Site BS01

Receptor Information

>7ux4 Chain A (length=350) Species: 496866 (Thermoanaerobacter pseudethanolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GFAMLSIGKVGWIEKEKPAPGPFDAIVRPLAVAPCTSDIHTVFEGAIGER
HNMILGHEAVGEVVEVGSEVKDFKPGDRVVVPAATPDWRTSEVQRGYHQH
SGGMLAGWKFSNVKDGVFGEFFHVNDADMNLAHLPKEIPLEAAVMIPDMM
TTGFHGAELADIELGATVAVLGIGPVGLMAVAGAKLRGAGRIIAVGSRPV
CVDAAKYYGATDIVNYKDGPIESQIMNLTEGKGVDAAIIAGGNADIMATA
VKIVKPGGTIANVNYFGEGEVLPVPRLEWGCGMAHKTIKGGLCPGGRLRM
ERLIDLVFYKRVDPSKLVTHVFRGFDNIEKAFMLMKDKPKDLIKPVVILA

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

7ux4 Chain A Residue 401 [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	7ux4 Crystallographic snapshots of ternary complexes of thermophilic secondary alcohol dehydrogenase from Thermoanaerobacter pseudoethanolicus reveal the dynamics of ligand exchange and the proton relay network.
Resolution	2.23 Å
Binding residue (original residue number in PDB)	C37 H59 E60 D150
Binding residue (residue number reindexed from 1)	C35 H57 E58 D148
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.1.1.80: isopropanol dehydrogenase (NADP(+)).

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0008270	zinc ion binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:7ux4, PDBe:7ux4, PDBj:7ux4
PDBsum	7ux4
PubMed	35357038
UniProt	B0KBL1

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