Structure of PDB 8rqr Chain A Binding Site BS03

Receptor Information
>8rqr Chain A (length=511) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMAFASLIERQRIRLLLALLFGACGTLAFSPYDVWPAAIISLMGLQALT
FNRRPLQSAAIGFCWGFGLFGSGINWVYVSIATFGGMPGPVNIFLVVLLA
AYLSLYTGLFAGVLSRLWPKTTWLRVAIAAPALWQVTEFLRGWVLTGFPW
LQFGYSQIDGPLKGLAPIMGVEAINFLLMMVSGLLALALVKRNWRPLVVA
VVLFALPFPLRYIQWFTPQPEKTIQVSMVQGDIPQSWDEGQLLNTLKIYY
NATAPLMGKSSLIIWPESAITDLEINQQPFLKALDGELRDKGSSLVTGIV
DARLNKQNRYDTYNTIITLGKGAPYSYESADRYNKNHLVPFGEFVPLESI
LRPLAPFFDLPMSSFSRGPYIQPPLSANGIELTAAICYEIILGEQVRDNF
RPDTDYLLTISNDAWFGKSIGPWQHFQMARMRALELARPLLRSTNNGITA
VIGPQGEIQAMIPQFTREVLTTNVTPTTGLTPYARTGNWPLWVLTALFGF
AAVLMSLRQRR
Ligand information
Ligand IDA1H2K
InChIInChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1
InChIKeyXTALOCBNHVPVKU-VYENPZKTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCC=CCCCCCC(=O)OCC(CO)O
OpenEye OEToolkits 2.0.7CCCCCCCCC/C=C/CCCCCC(=O)OC[C@H](CO)O
CACTVS 3.385CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCCCC/C=C/CCCCCC(=O)OC[C@@H](O)CO
FormulaC20 H38 O4
Name7.10 monoacylglycerol (S-form);
[(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate
ChEMBL
DrugBank
ZINC
PDB chain8rqr Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8rqr 7.10 MAG. A Novel Host Monoacylglyceride for In Meso (Lipid Cubic Phase) Crystallization of Membrane Proteins
Resolution2.19 Å
Binding residue
(original residue number in PDB)		L19 F20 A22 C23 L26 Y31 S70
Binding residue
(residue number reindexed from 1)		L21 F22 A24 C25 L28 Y33 S72
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.269: apolipoprotein N-acyltransferase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016410 N-acyltransferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0042158 lipoprotein biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8rqr, PDBe:8rqr, PDBj:8rqr
PDBsum8rqr
PubMed38585376
UniProtP23930|LNT_ECOLI Apolipoprotein N-acyltransferase (Gene Name=lnt)

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