Structure of PDB 8q2p Chain A Binding Site BS12

Receptor Information
>8q2p Chain A (length=510) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAFASLIERQRIRLLLALLFGACGTLAFSPYDVWPAAIISLMGLQALTFN
RRPLQSAAIGFCWGFGLFGSGINWVYVSIATFGGMPGPVNIFLVVLLAAY
LSLYTGLFAGVLSRLWPKTTWLRVAIAAPALWQVTEFLRGWVLTGFPWLQ
FGYSQIDGPLKGLAPIMGVEAINFLLMMVSGLLALALVKRNWRPLVVAVV
LFALPFPLRYIQWFTPQPEKTIQVSMVQGDIPQSLKWDEGQLLNTLKIYY
NATAPLMGKSSLIIWPESAITDLEINQQPFLKALDGELRDKGSSLVTGIV
DARLNKQNRYDTYNTIITLGKGAPYSYESADRYNKNHLVPFGEFVPLESI
LRPLAPFFDLPMSSFSRGPYIQPPLSANGIELTAAICYEIILGEQVRDNF
RPDTDYLLTISNDAWFGKSIGPWQHFQMARMRALELARPLLRSTNNGITA
VIGPQGEIQAMIPQFTREVLTTNVTPTTGLTPYARTGNWPLWVLTALFGF
AAVLMSLRQR
Ligand information
Ligand IDIRY
InChIInChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1
InChIKeyNDMGORYXSUYATF-INIZCTEOSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCC[Se]CCCCCCCC(=O)OC[C@@H](O)CO
OpenEye OEToolkits 2.0.7CCCCCC[Se]CCCCCCCC(=O)OC[C@H](CO)O
CACTVS 3.385CCCCCC[Se]CCCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 2.0.7CCCCCC[Se]CCCCCCCC(=O)OCC(CO)O
FormulaC17 H34 O4 Se
Name[(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate
ChEMBL
DrugBank
ZINC
PDB chain8q2p Chain A Residue 2424 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8q2p Se-MAG Is a Convenient Additive for Experimental Phasing and Structure Determination of Membrane Proteins Crystallised by the Lipid Cubic Phase (In Meso) Method
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L15 C62 F65 L96
Binding residue
(residue number reindexed from 1)		L15 C62 F65 L96
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:8q2p, PDBe:8q2p, PDBj:8q2p
PDBsum8q2p
PubMed
UniProtP23930|LNT_ECOLI Apolipoprotein N-acyltransferase (Gene Name=lnt)

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