Structure of PDB 4nae Chain A Binding Site BS01

Receptor Information
>4nae Chain A (length=219) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIRAWRHVFKLDPNKPIDDERLERLCESGTDAVIVGVTIDNVLDLLARIR
RFSVPCALEVTDVLTPGFDVYLVPIVLNSRQAEWIIGRHHEAVKQYGDMM
NWDEIAAEGYCILNPECKAAKLTRADTELDVDDIVAYARLAEHLYKLPIF
YLEYSGVYGDPSVVEKVKQALDQTQLFYGGGITTPEQAEHMARYADTVVV
GNAIYDAFEQALATVAAVK
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 chain4nae Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nae A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K12 Y159 E161 G187 G188 G189 G209 N210
Binding residue
(residue number reindexed from 1)		K10 Y151 E153 G179 G180 G181 G201 N202
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.n9: heptaprenylglyceryl phosphate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0002094 polyprenyltransferase activity
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0046872 metal ion binding
Biological Process
GO:0006650 glycerophospholipid metabolic process
GO:0008654 phospholipid biosynthetic process
GO:0046474 glycerophospholipid biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4nae, PDBe:4nae, PDBj:4nae
PDBsum4nae
PubMed24684232
UniProtQ5L3C1|PCRB_GEOKA Heptaprenylglyceryl phosphate synthase (Gene Name=pcrB)

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