Structure of PDB 5l9g Chain A Binding Site BS02

Receptor Information
>5l9g Chain A (length=325) Species: 1183423 (Agrobacterium tumefaciens str. B6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVVIASSGGGWQEAQDKALWAPAAKALNITYTQDTFQNWAEARAQVESG
SVTWDIIQIGIADEPQAKAAGVLEKLDPDIVNKADFPPGSVTDSFVANSN
YSTLIAWNKKTYGDNGPKSMADFFDVKKFPGKRALWNQPIGMIEAAALAL
GTPRDKVYEFLSTEEGRKAAIAKLTELAPSVSVWWESGAQAAQLIKDGEV
DMIITWGGRVQGAINDGANFAYTFNDAQLGTDGYAIVKGAPHRDAAMRFL
KEMSKAEYQKDLPNSFATAPANMKAYDLAKYTPEKMATMASAPENVAVQY
SVDPNFWAKHAKWASEAYDNVRLSR
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 chain5l9g Chain A Residue 408 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5l9g Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
Resolution1.75 Å
Binding residue
(original residue number in PDB)
G39 G40 R238
Binding residue
(residue number reindexed from 1)
G10 G11 R209
Annotation score4
External links