Structure of PDB 5d21 Chain B Binding Site BS02

Receptor Information
>5d21 Chain B (length=121) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREH
PDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYND
VPGTYGNNSGSFSVNIGKDQS
Ligand information
Ligand ID56N
InChIInChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
InChIKeyNEZJDVYDSZTRFS-YBXAARCKSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.9.2c1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O
ACDLabs 12.01OC1C(OC(C(O)C1O)CO)Oc2ccccc2
OpenEye OEToolkits 1.9.2c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
CACTVS 3.385OC[CH]1O[CH](Oc2ccccc2)[CH](O)[CH](O)[CH]1O
FormulaC12 H16 O6
Namephenyl beta-D-galactopyranoside;
phenyl beta-D-galactoside;
phenyl D-galactoside;
phenyl galactoside
ChEMBLCHEMBL4464291
DrugBank
ZINCZINC000004095887
PDB chain5d21 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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PDB5d21 Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Resolution1.9 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:5d21, PDBe:5d21, PDBj:5d21
PDBsum5d21
PubMed26416170
UniProtQ05097|PA1L_PSEAE PA-I galactophilic lectin (Gene Name=lecA)

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