Structure of PDB 5h5a Chain A Binding Site BS02

Receptor Information
>5h5a Chain A (length=214) Species: 284590 (Kluyveromyces lactis NRRL Y-1140) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSVEIDWDNIRGDLSVNQGVKDFLNSRLQEFELPSYVNNLKVTNFDLGT
MPPNVILKQMDDPLDEFYNTDVQLLVELDYKGDMSIELSADLVLNYPSPQ
FMILPVKLRISDIGMHCLCLLAYLKKQLFISFLCDVSDPLLENDKLQVDP
SGPNFMGKRALERISLIRNIKIHTELGQLDSVLRSVGKLEEFLVDLFRNL
IRKEAAWPSWIDLD
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain5h5a Chain D Residue 301 [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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PDB5h5a Structure-function insights into direct lipid transfer between membranes by Mmm1-Mdm12 of ERMES
Resolution2.26 Å
Binding residue
(original residue number in PDB)		M1 S2
Binding residue
(residue number reindexed from 1)		M2 S3
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007005 mitochondrion organization
Cellular Component
GO:0032865 ERMES complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5h5a, PDBe:5h5a, PDBj:5h5a
PDBsum5h5a
PubMed29279306
UniProtQ6CUC3|MDM12_KLULA Mitochondrial distribution and morphology protein 12 (Gene Name=MDM12)

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