Structure of PDB 3oz2 Chain A Binding Site BS02

Receptor Information
>3oz2 Chain A (length=397) Species: 2303 (Thermoplasma acidophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMETYDVLVVGGGPGGSTAARYAAKYGLKTLMIEKRPEIGSPVRCGEGLS
KGILNEADIKADRSFIANEVKGARIYGPSEKRPIILQSEKAGNEVGYVLE
RDKFDKHLAALAAKAGADVWVKSPALGVIKENGKVAGAKIRHNNEIVDVR
AKMVIAADGFESEFGRWAGLKSVILARNDIISALQYRMINVDVDPDYTDF
YLGSIAPAGYIWVFPKGEGMANVGIGSSINWIHNRFELKNYLDRFIENHP
GLKKGQDIQLVTGGVSVSKVKMPITMPGLMLVGDAARLIDPITGGGIANA
IVSGMYAAQVTKEAIESNDYSPQMMQKYEKLIKERFERKHLRNWVAKEKL
AMLSDDTLDKLVDIVSEQVLTTISVEAILKAIAEKYPEVVKELEDLI
Ligand information
Ligand IDOZ2
InChIInChI=1S/C37H69O10P/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-36(40)44-32-35(33-46-48(42,43)45-31-34(39)30-38)47-37(41)29-27-25-23-20-14-12-10-8-6-4-2/h14,16-17,20,34-35,38-39H,3-13,15,18-19,21-33H2,1-2H3,(H,42,43)/b17-16-,20-14-/t34-,35+/m0/s1
InChIKeyYOPHQENQMRACBJ-BMAOJOIDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCC
CACTVS 3.370CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@@H](O)CO)OC(=O)CCCC\C=C/CCCCCC
OpenEye OEToolkits 1.7.0CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCCCCCC
OpenEye OEToolkits 1.7.0CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=C\CCCCCC
ACDLabs 12.01O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCC\C=C/CCCCCC
FormulaC37 H69 O10 P
Name(2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000058650962
PDB chain3oz2 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oz2 Insights into substrate specificity of geranylgeranyl reductases revealed by the structure of digeranylgeranylglycerophospholipid reductase, an essential enzyme in the biosynthesis of archaeal membrane lipids.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		F199 Y209 W211 P290 I291 T292 G293 G294 K338 S373 V374
Binding residue
(residue number reindexed from 1)		F200 Y210 W212 P291 I292 T293 G294 G295 K339 S374 V375
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.101: 2,3-bis-O-geranylgeranyl-sn-glycerol 1-phosphate reductase [NAD(P)H].
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
GO:0045550 geranylgeranyl reductase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006650 glycerophospholipid metabolic process
GO:0008654 phospholipid biosynthetic process
GO:0046467 membrane lipid biosynthetic process
GO:0046474 glycerophospholipid biosynthetic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3oz2, PDBe:3oz2, PDBj:3oz2
PDBsum3oz2
PubMed20869368
UniProtQ9HKS9|GGR_THEAC Digeranylgeranylglycerophospholipid reductase (Gene Name=Ta0516)

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