Structure of PDB 8q2p Chain A Binding Site BS04

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 2416 [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)		W121 A125 F174 L182 V197
Binding residue
(residue number reindexed from 1)		W121 A125 F174 L182 V197
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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