Structure of PDB 5l9i Chain A Binding Site BS02

Receptor Information
>5l9i Chain A (length=326) Species: 1183423 (Agrobacterium tumefaciens str. B6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMDVVIASSGGGWQEAQDKALWAPAAKALNITYTQDTFQNWAEARAQVES
GSVTWDIIQIGIADEPQAKAAGVLEKLDPDIVNKADFPPGSVTDSFVANS
NYSTLIAWNKKTYGDNGPKSMADFFDVKKFPGKRALWNQPIGMIEAAALA
LGTPRDKVYEFLSTEEGRKAAIAKLTELAPSVSVWWESGAQAAQLIKDGE
VDMIITWGGRVQGAINDGANFAYTFNDAQLGTDGYAIVKGAPHRDAAMRF
LKEMSKAEYQKDLPNSFATAPANMKAYDLAKYTPEKMATMASAPENVAVQ
YSVDPNFWAKHAKWASEAYDNVRLSR
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5l9i Chain A Residue 406 [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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PDB5l9i Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W235 G236 G237 R238 F295
Binding residue
(residue number reindexed from 1)		W207 G208 G209 R210 F267
Annotation score4
External links