Structure of PDB 7mzs Chain A Binding Site BS01

Receptor Information
>7mzs Chain A (length=190) Species: 584 (Proteus mirabilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANDYVPSPITINTSTLPVVVITYPRVIGELTGTSNQYIFNGGSLIALMR
GKFTPTLPKIGKITYNFRQGNNTQSSDFDIFDTGVPGLGIIIGMAGYWPA
TPLVPINSSSIYIDPVAANTNPNAYNGATGSFGARLYVAFVATGRLPNGY
VTIPTKQLGHILLESNRASLNNKRLTAPVMLNGGRIQVQS
Ligand information
Ligand IDGLA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain7mzs Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mzs Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Resolution1.72 Å
Binding residue
(original residue number in PDB)
Q63 W124 T155 S157 F158 G159
Binding residue
(residue number reindexed from 1)
Q37 W98 T129 S131 F132 G133
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links