Structure of PDB 3urm Chain B Binding Site BS01

Receptor Information
>3urm Chain B (length=329) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKGSVGIAMPTKSSARWIDDGNNIVKQLQEAGYKTDLQYADDDIPNQLSQ
IENMVTKGVKVLVIASIDGTTLSDVLKQAGEQGIKVIAYDRLIRNSGDVS
YYATFDNFQVGVLQATSITDKLGLKDGKGPFNIELFGGSPDDNNAFFFYD
GAMSVLKPYIDSGKLVVKSGQMGMDKVGTLRWDPATAQARMDNLLSAYYT
DAKVDAVLSPYDGLSIGIISSLKGVGYGTKDQPLPVVSGQDAEVPSVKSI
IAGEQYSTIFKDTRELAKVTVNMVNAVMEGKEPEVNDTKTYENGVKVVPS
YLLKPVAVTKENYKQVLVDGGYYKEDQLK
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 chain3urm Chain B Residue 331 [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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PDB3urm Agrobacterium tumefaciens recognizes its host environment using ChvE to bind diverse plant sugars as virulence signals.
Resolution1.801 Å
Binding residue
(original residue number in PDB)		S15 R17 D91 R92 D143 N145 W183 D242 K262
Binding residue
(residue number reindexed from 1)		S14 R16 D90 R91 D142 N144 W182 D241 K261
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3urm, PDBe:3urm, PDBj:3urm
PDBsum3urm
PubMed23267119
UniProtP25548|CHVE_AGRFC Multiple sugar-binding periplasmic receptor ChvE (Gene Name=chvE)

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