Structure of PDB 6p25 Chain A Binding Site BS02

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 IDNNM
InChIInChI=1S/C40H69O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h40H,1,3-8,10-32H2,2,9H3,(H2,41,42,43)/t40-/m1/s1
InChIKeyCTKMEBTWSXRRSJ-RRHRGVEJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O
OpenEye OEToolkits 2.0.7C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O
ACDLabs 12.01C(CCCC(=C)/CCC\C(=C)CCC/C(CCC\C(=C)CCC/C(CCC\C(=C)CCC\C(=C)C)=C)=C)(CCOP(O)(O)=O)C
OpenEye OEToolkits 2.0.7CC(CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O
CACTVS 3.385C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O
FormulaC40 H69 O4 P
Name(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain6p25 Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6p25 Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		H98 K234 W235 L238 F239 T242 G245 A270 L274 L277 L278 W545 N548 M647 R649 H655
Binding residue
(residue number reindexed from 1)		H84 K220 W221 L224 F225 T228 G231 A256 L260 L263 L264 W527 N530 M629 R631 H637
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

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Molecular Function
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Biological Process
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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)

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