Structure of PDB 5lkw Chain A Binding Site BS01

Receptor Information
>5lkw Chain A (length=119) Species: 216591 (Burkholderia cenocepacia J2315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPLNDPNSPLAKRSIYFDFDSYSVKDEYQPLMQQHAQYLKSHPQRHVLIQ
GNTDERGTSEYNLALGQKRAEAVRRAMALLGVNDSQMEAVSLGKEKPQAT
GHDEASWAQNRRADLVYQQ
Ligand information
Ligand IDAPI
InChIInChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5+
InChIKeyGMKMEZVLHJARHF-SYDPRGILSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[CH](CCC[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.2C(CC(C(=O)O)N)CC(C(=O)O)N
CACTVS 3.370N[C@@H](CCC[C@@H](N)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(N)CCCC(C(=O)O)N
FormulaC7 H14 N2 O4
Name2,6-DIAMINOPIMELIC ACID
ChEMBLCHEMBL415306
DrugBank
ZINCZINC000001532722
PDB chain5lkw Chain A Residue 201 [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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PDB5lkw The Burkholderia cenocepacia peptidoglycan-associated lipoprotein is involved in epithelial cell attachment and elicitation of inflammation.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D71 T104 D105 R107 N113 L116 R120 R162
Binding residue
(residue number reindexed from 1)		D20 T53 D54 R56 N62 L65 R69 R111
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane

View graph for
Cellular Component
External links
PDB RCSB:5lkw, PDBe:5lkw, PDBj:5lkw
PDBsum5lkw
PubMed27886433
UniProtB4EDC1

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