Structure of PDB 7aas Chain B Binding Site BS01

Receptor Information
>7aas Chain B (length=376) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETAGKPIECKAAIAWEAKKPLEVRTVTVAPPGPGEVRVQIKATALCQTDA
YTLGGLDPEGRFPCILGHEAAGVVESVGEGVTSVKPGDHVIPCYQAYCGE
CKFCKHPESNLCVSVRAFTGKGVMKSDGKPRFTVDGKPIYHFMGTSTFSE
YTVVHEQSVAKIDVNAPLDKVCLLGCGVSTGWGAVFNTAKVTAGSTVAVF
GLGAVGLAVIEAAKRAGASRIIAVDIDPTKFPTAKEFGATDCINPKDHEK
PIQQVIVEMTEWGCDYTFECIGNTAVMRAALECAHRGWGTSVIVGVAAAG
QEISTRPFQLVTGRRWMGTAFGGYKSRVQVPDLVTDYMSGATLLDKYITH
NMKFDQINEAFELLHAGECLRCVLTF
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 chain7aas Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7aas Structural and functional insights into nitrosoglutathione reductase from Chlamydomonas reinhardtii.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C48 H70 E71 C178
Binding residue
(residue number reindexed from 1)		C46 H68 E69 C176
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C48 T50 Y53 H70 C178
Catalytic site (residue number reindexed from 1) C46 T48 Y51 H68 C176
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:7aas, PDBe:7aas, PDBj:7aas
PDBsum7aas
PubMed33316743
UniProtA0A2K3D6R4

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