Structure of PDB 4rgq Chain B Binding Site BS03

Receptor Information
>4rgq 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
YYDEILNNLEIKKYTAYDCVIGIGGGRSIDTGKYLAYKLGIPFISVPTTA
SNDGIASPIVSIRQPSFMVDAPIAIIADTEIIKKSPRRLLSAGMGDIVSN
ITAVLDWKLAYKEKGEKYSESSAIFSKTIAKELISYVLNSDLSEYHNKLV
KALVGSGIAIAIANSSRPASGSEHLFSHALDKLKEEYNLNINSLHGEQCG
IGTIMMSYLHEKENKKLSGLHEKIKMSLKKVDAPTTAKELGFDEDIIIEA
LTMAHKIRNRWTILRDGLSREEARKLAEETGVI
Ligand information
Ligand ID1GP
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyAWUCVROLDVIAJX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H](COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC(O)CO
CACTVS 3.341OC[CH](O)CO[P](O)(O)=O
CACTVS 3.341OC[C@H](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-1-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000003830895
PDB chain4rgq Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4rgq Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		D105 S118 S218 S222 H226 H230
Binding residue
(residue number reindexed from 1)		D103 S116 S216 S220 H224 H228
Annotation score5
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:4rgq, PDBe:4rgq, PDBj:4rgq
PDBsum4rgq
PubMed26175150
UniProtQ58122|G1PDH_METJA Glycerol-1-phosphate dehydrogenase [NAD(P)+] (Gene Name=egsA)

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