Structure of PDB 6p2r Chain B Binding Site BS02

Receptor Information
>6p2r Chain B (length=690) Species: 580240 (Saccharomyces cerevisiae W303) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSLLRLESVVMPVIFTALALFTRMYKIGINNHVVWDEAHFGKFGSYYLRH
EFYHDVHPPLGKMLVGLSGYLAGYNGSWDFPSGEIYPDYLDYVKMRLFNA
SFSALCVPLAYFTAKAIGFSLPTVWLMTVLVLFENSYSTLGRFILLDSML
LFFTVASFFSFVMFHNQRSKPFSRKWWKWLLITGISLGCTISVKMVGLFI
ITMVGIYTVIDLWTFLADKSMSWKTYINHWLARIFGLIIVPFCIFLLCFK
IHFDLLSHSGTGDANMPSLFQARLVGSDVGQGPRDIALGSSVVSIKNQAL
GGSLLHSHIQTYPDGSNQQQVTCYGYKDANNEWFFNRERGLPSWSENETD
IEYLKPGTSYRLVHKSTGRNLHTHPVAAPVSKTQWEVSGYGDNVVGDNKD
NWVIEIMDQRGDEDPEKLHTLTTSFRIKNLEMGCYLAQTGNSLPEWGFRQ
QEVVCMKNPFKRDKRTWWNIETHENDFQYPKTNFLKDFIHLNLAMMATNN
ALVPDPDKFDYLASSAWQWPTLNVGLRLCGWGDDNPKYFLLGTPASTWAS
SVAVLAFMATVVILLIRWQRQYVDLRNPSNWNVFLMGGFYPLLAWGLHYM
PFVIMSRVTYVHHYLPALYFALIILAYCFDAGLQKWSRSKCGRIMRFVLY
AGFMALVIGCFWYFSPISFGMEGPSSNFRYLNWFSTWDIA
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 B Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6p2r Structure of the eukaryotic protein O-mannosyltransferase Pmt1-Pmt2 complex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		V616 A620 T624 L628 D638 R640 Y691 C692
Binding residue
(residue number reindexed from 1)		V552 A556 T560 L564 D574 R576 Y627 C628
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:0097584 dolichyl-phosphate-mannose-protein mannosyltransferase Pmt5p-Pmt2p dimer complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6p2r, PDBe:6p2r, PDBj:6p2r
PDBsum6p2r
PubMed31285605
UniProtP31382|PMT2_YEAST Dolichyl-phosphate-mannose--protein mannosyltransferase 2 (Gene Name=PMT2)

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