Structure of PDB 5h5a Chain A Binding Site BS01

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 A 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)		Y96 M131 L137 Y139 L144 F217 I221
Binding residue
(residue number reindexed from 1)		Y80 M115 L121 Y123 L128 F197 I201
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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