Structure of PDB 6p25 Chain A Binding Site BS01

Receptor Information
>6p25 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 chain6p25 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]
PDB6p25 Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		P565 G598 F600 I631 L634 Y641 A642 F645
Binding residue
(residue number reindexed from 1)		P547 G580 F582 I613 L616 Y623 A624 F627
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:6p25, PDBe:6p25, PDBj:6p25
PDBsum6p25
PubMed31285605
UniProtP33775|PMT1_YEAST Dolichyl-phosphate-mannose--protein mannosyltransferase 1 (Gene Name=PMT1)

[Back to BioLiP]