Structure of PDB 4l6t Chain B Binding Site BS01

Receptor Information
>4l6t Chain B (length=105) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTPQNITDLCNEYQNTMIYSLNKEIATYTESLAGKREMVIISFSNGATFQ
VEVPGSQHLESQKRPLERMKDTLRAAYFTGIKISKLCAWTNKSPNSIAAI
ELSNL
Ligand information
Ligand IDGAL
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain4l6t Chain G Residue 4 [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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PDB4l6t EcxAB Is a Founding Member of a New Family of Metalloprotease AB5 Toxins with a Hybrid Cholera-like B Subunit.
Resolution1.859 Å
Binding residue
(original residue number in PDB)		E73 Q83 W110 N112 K113
Binding residue
(residue number reindexed from 1)		E52 Q62 W89 N91 K92
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=7.49,Kd=32nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0005576 extracellular region

View graph for
Cellular Component
External links
PDB RCSB:4l6t, PDBe:4l6t, PDBj:4l6t
PDBsum4l6t
PubMed24095060
UniProtQ8GAV3

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