Structure of PDB 4lk7 Chain C Binding Site BS02

Receptor Information
>4lk7 Chain C (length=121) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREH
PDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYND
VPGTYGNNSGSFSVNIGKDQS
Ligand information
Ligand ID04G
InChIInChI=1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
InChIKeyHSSLDCABUXLXKM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Oc1ccc2N=C3C=CC(=O)C=C3Oc2c1
ACDLabs 12.01O=C2C=CC1=Nc3c(OC1=C2)cc(O)cc3
OpenEye OEToolkits 1.7.2c1cc2c(cc1O)OC3=CC(=O)C=CC3=N2
FormulaC12 H7 N O3
Name7-hydroxy-3H-phenoxazin-3-one;
RESORUFIN
ChEMBLCHEMBL1185321
DrugBank
ZINCZINC000004428361
PDB chain4lk7 Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lk7 CH-pi "T-Shape" Interaction with Histidine Explains Binding of Aromatic Galactosides to Pseudomonas aeruginosa Lectin LecA
Resolution1.758 Å
Binding residue
(original residue number in PDB)		H50 Q53
Binding residue
(residue number reindexed from 1)		H50 Q53
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0007157 heterophilic cell-cell adhesion via plasma membrane cell adhesion molecules
Cellular Component
GO:0005737 cytoplasm
GO:0009986 cell surface
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lk7, PDBe:4lk7, PDBj:4lk7
PDBsum4lk7
PubMed23869965
UniProtQ05097|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)

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