Structure of PDB 3zyh Chain B Binding Site BS02

Receptor Information
>3zyh Chain B (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 IDG0S
InChIInChI=1S/C9H16O7S/c10-3-4-6(13)7(14)8(15)9(16-4)17-2-1-5(11)12/h4,6-10,13-15H,1-3H2,(H,11,12)/t4-,6+,7+,8-,9+/m1/s1
InChIKeyXMQYQVUZHDCFEM-MRCFXUCSSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH](SCCC(O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@@H](SCCC(O)=O)[C@H](O)[C@@H](O)[C@H]1O
ACDLabs 12.01O=C(O)CCSC1OC(C(O)C(O)C1O)CO
OpenEye OEToolkits 1.9.2C(CSC1C(C(C(C(O1)CO)O)O)O)C(=O)O
OpenEye OEToolkits 1.9.2C(CS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=O)O
FormulaC9 H16 O7 S
Name3-(beta-D-galactopyranosylthio)propanoic acid;
3-(beta-D-galactosylthio)propanoic acid;
3-(D-galactosylthio)propanoic acid;
3-(galactosylthio)propanoic acid
ChEMBL
DrugBank
ZINCZINC000059874097
PDB chain3zyh Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zyh A Glycopeptide Dendrimer Inhibitor of the Galactose Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms
Resolution1.501 Å
Binding residue
(original residue number in PDB)		Y36 H50 Q53 D100 T104 N107
Binding residue
(residue number reindexed from 1)		Y36 H50 Q53 D100 T104 N107
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:3zyh, PDBe:3zyh, PDBj:3zyh
PDBsum3zyh
PubMed21919164
UniProtQ05097|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)

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