Structure of PDB 6p2r Chain A Binding Site BS01

Receptor Information
>6p2r Chain A (length=731) Species: 580240 (Saccharomyces cerevisiae W303) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVPELDIKQGPVRPFIVTDPSAELASLRTMVTLKEKLLVACLAVFTAVIR
LHGLAWPDSVVFDEVHFGGFASQYIRGTYFMDVHPPLAKMLYAGVASLGG
FQGDFDFENIGDSFPSTTPYVLMRFFSASLGALTVILMYMTLRYSGVRMW
VALMSAICFAVENSYVTISRYILLDAPLMFFIAAAVYSFKKYEMYPANSL
NAYKSLLATGIALGMASSSKWVGLFTVTWVGLLCIWRLWFMIGDLTKSSK
SIFKVAFAKLAFLLGVPFALYLVFFYIHFQSLTLDGDGASFFSPEFRSTL
KNNKIPQNVVADVGIGSIISLRHLSTMGGYLHSHSHNYPAGSEQQQSTLY
PHMDANNDWLLELYNSLTTFQNLTDGTKVRLFHTVTRCRLHSHDHKPPVS
ESSDWQKEVSCYGYSGFDGDANDDWVVEIDKKNSAPGVAQERVIALDTKF
RLRHAMTGCYLFSHEVKLPAWGFEQQEVTCASSGRHDLTLWYVENNSNPL
LPEDTKRISYKPASFISKFIESHKKMWHINKNLVEPHVYESQPTSWPFLL
RGISYWGENNRNVYLLGNAIVWWAVTAFIGIFGLIVITELFSWQLGKPIL
KDSKVVNFHVQVIHYLLGFAVHYAPSFLMQRQMFLHHYLPAYYFGILALG
HALDIIVSYVFRSKRQMGYAVVITFLAASVYFFKSFSPIIYGTPWTQELC
QKSQWLSGWDYNCNTYFSSLEEYKNQTLTKR
Ligand information
Ligand IDCPL
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
InChIKeyJLPULHDHAOZNQI-ZTIMHPMXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
FormulaC42 H80 N O8 P
Name1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
ChEMBL
DrugBankDB02306
ZINC
PDB chain6p2r Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6p2r Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		G598 L634 F637
Binding residue
(residue number reindexed from 1)		G580 L616 F619
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.109: dolichyl-phosphate-mannose--protein mannosyltransferase.
Gene Ontology
Molecular Function
GO:0000030 mannosyltransferase activity
GO:0004169 dolichyl-phosphate-mannose-protein mannosyltransferase activity
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
Biological Process
GO:0006486 protein glycosylation
GO:0006493 protein O-linked glycosylation
GO:0009272 fungal-type cell wall biogenesis
GO:0032527 protein exit from endoplasmic reticulum
GO:0035269 protein O-linked mannosylation
GO:0036503 ERAD pathway
GO:1900101 regulation of endoplasmic reticulum unfolded protein response
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0097582 dolichyl-phosphate-mannose-protein mannosyltransferase Pmt1p-Pmt2p dimer complex
GO:0097583 dolichyl-phosphate-mannose-protein mannosyltransferase Pmt1p-Pmt3p dimer complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6p2r, PDBe:6p2r, PDBj:6p2r
PDBsum6p2r
PubMed31285605
UniProtP33775|PMT1_YEAST Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Gene Name=PMT1)

[Back to BioLiP]