Structure of PDB 7uut Chain A Binding Site BS01

Receptor Information

>7uut Chain A (length=352) Species: 496866 (Thermoanaerobacter pseudethanolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKGFAMLSIGKVGWIEKEKPAPGPFDAIVRPLAVAPCTSDIHTVFEGAIG
ERHNMILGHEAVGEVVEVGSEVKDFKPGDRVVVPAATPDWRTSEVQRGYH
QHSGGMLAGWKFSNVKDGVFGEFFHVNDADMNLAHLPKEIPLEAAVMIPD
MMTTGFHGAELADIELGATVAVLGIGPVGLMAVAGAKLRGAGRIIAVGSR
PVCVDAAKYYGATDIVNYKDGPIESQIMNLTEGKGVDAAIIAGGNADIMA
TAVKIVKPGGTIANVNYFGEGEVLPVPRLEWGCGMAHKTIKGGLCPGGRL
RMERLIDLVFYKRVDPSKLVTHVFRGFDNIEKAFMLMKDKPKDLIKPVVI
LA

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

7uut 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	7uut 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	1.89 Å
Binding residue (original residue number in PDB)	C37 H59 D150
Binding residue (residue number reindexed from 1)	C37 H59 D150
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.1.1.2: alcohol dehydrogenase (NADP(+)).

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0008106	alcohol dehydrogenase (NADP+) activity
GO:0008270	zinc ion binding
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:7uut, PDBe:7uut, PDBj:7uut
PDBsum	7uut
PubMed	35357038
UniProt	P77990

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