Structure of PDB 7aau Chain A Binding Site BS01

Receptor Information
>7aau Chain A (length=377) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SETAGKPIECKAAIAWEAKKPLEVRTVTVAPPGPGEVRVQIKATALCQTD
AYTLGGLDPEGRFPCILGHEAAGVVESVGEGVTSVKPGDHVIPCYQAYCG
ECKFCKHPESNLCVSVRAFTGKGVMKSDGKPRFTVDGKPIYHFMGTSTFS
EYTVVHEQSVAKIDVNAPLDKVCLLGCGVSTGWGAVFNTAKVTAGSTVAV
FGLGAVGLAVIEAAKRAGASRIIAVDIDPTKFPTAKEFGATDCINPKDHE
KPIQQVIVEMTEWGCDYTFECIGNTAVMRAALECAHRGWGTSVIVGVAAA
GQEISTRPFQLVTGRRWMGTAFGGYKSRVQVPDLVTDYMSGATLLDKYIT
HNMKFDQINEAFELLHAGECLRCVLTF
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7aau 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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PDB7aau Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Resolution2.301 Å
Binding residue
(original residue number in PDB)		C48 H70 E71 C178
Binding residue
(residue number reindexed from 1)		C47 H69 E70 C177
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C48 T50 Y53 H70 C178
Catalytic site (residue number reindexed from 1) C47 T49 Y52 H69 C177
Enzyme Commision number 1.1.1.284: S-(hydroxymethyl)glutathione dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051903 S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity
GO:0106321 S-(hydroxymethyl)glutathione dehydrogenase (NADP+) activity
GO:0106322 S-(hydroxymethyl)glutathione dehydrogenase (NAD+) activity
Biological Process
GO:0044281 small molecule metabolic process
GO:0046294 formaldehyde catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7aau, PDBe:7aau, PDBj:7aau
PDBsum7aau
PubMed33316743
UniProtA0A2K3D6R4

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