Structure of PDB 6iuy Chain A Binding Site BS02

Receptor Information
>6iuy Chain A (length=585) Species: 3046 (Dunaliella salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEPSEQVLDLWQQADAVCFDVDRTVTTDASVGLLAKFMGIEDEAQSLTEQ
ANRGEINLTKAFEDRLAKLNFTPTDIDRFLEEHPAHTRLVPGVENLIAAL
KARGVEVFLISGGFREMALPIASHLKIPAKNVFCNTMSWQLDDHGEPVRL
SHFKSRAIERIRRKYPYNNIIMVGDGFSDLEAMQGSPDGADAFICFGGVM
QRPAVASQADWFVRSYDELMAKLKRYKVTMVGSGAWACTAVRMVAQSTAE
AAQLPGSVFEKEVTMWVHEEKHSGRNLIEYINENHENPIYLPGIDLGENV
KATSDLIEAVRGADALIFCAPHQFMHGICKQLAAARVVGRGVKAISLTKG
MRVRAEGPQLISQMVSRILGIDCSVLMGANIAGDIAKEELSEAVIAYANR
ESGSLWQQLFQRPYFAINLLADVPGAEMCGTLKNIVAVGAGIGDGLGVGP
NSKASILRQGLSEMRKFCKFISPSVRDDTFFESCGVADLIASSYGGRNRR
VAEAWAQKRIAGDDQVTFEKLEKEMLNGQKLQGVLTSDEVQEILHARGWE
LEFPLFTTINRIIHGEVPPTMILRYRVACSMPSMP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6iuy Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6iuy The unusual di-domain structure of Dunaliella salina glycerol-3-phosphate dehydrogenase enables direct conversion of dihydroxyacetone phosphate to glycerol.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D116 D118 D281
Binding residue
(residue number reindexed from 1)		D20 D22 D175
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.8: glycerol-3-phosphate dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0042803 protein homodimerization activity
GO:0051287 NAD binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0006116 NADH oxidation
GO:0046168 glycerol-3-phosphate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6iuy, PDBe:6iuy, PDBj:6iuy
PDBsum6iuy
PubMed31762135
UniProtQ52ZA0

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