Structure of PDB 4rgv Chain B Binding Site BS02

Receptor Information
>4rgv Chain B (length=333) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIIVTPRYTIIEDGAINKIEEILKKLNLKNPLVITGKNTKKYCRFFYDIV
YYDEILNNLELKKYTAYDCVIGIGGGRSIDTGKYLAYKLGIPFISVPTTA
SNDGIASPIVSIRQPSFMVDAPIAIIADTEIIKKSPRRLLSAGMGDIVSN
ITAVLDWKLAYKEKGEKYSESSAIFSKTIAKELISYVLNSDLSEYHNKLV
KALVGSGIAIAIANSSRPASGSEHLFSHALDKLKEEYNLNINSLHGEQCG
IGTIMMSYLHEKENKKLSGLHEKIKMSLKKVDAPTTAKELGFDEDIIIEA
LTMAHKIRNRWTILRDGLSREEARKLAEETGVI
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 chain4rgv Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rgv Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		H226 H247
Binding residue
(residue number reindexed from 1)		H224 H245
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D148 H226 S229 H247
Catalytic site (residue number reindexed from 1) D146 H224 S227 H245
Enzyme Commision number 1.1.1.261: sn-glycerol-1-phosphate dehydrogenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0046872 metal ion binding
GO:0050492 glycerol-1-phosphate dehydrogenase [NAD(P)+] activity
GO:0106357 glycerol-1-phosphate dehydrogenase (NAD+) activity
GO:0106358 glycerol-1-phosphate dehydrogenase (NADP+) activity
Biological Process
GO:0006650 glycerophospholipid metabolic process
GO:0008654 phospholipid biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rgv, PDBe:4rgv, PDBj:4rgv
PDBsum4rgv
PubMed26175150
UniProtQ58122|G1PDH_METJA Glycerol-1-phosphate dehydrogenase [NAD(P)+] (Gene Name=egsA)

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