Structure of PDB 6tg2 Chain B Binding Site BS02

Receptor Information
>6tg2 Chain B (length=325) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMDVVIASSGGGWQEAQDKALWAPAAKALNITYTQDTFQNWAEARAQVES
GSVTWDIIQIGIADEPQAKAAGVLEKLDPDIVNKADFPPGSVTDSFVANS
NYSTLIAWNKKTYGDNGPKSMADFFDVKKFPGKRALWNQPIGMIEAAALA
LGTPRDKVYEFLSTEEGRKAAIAKLTELAPSVSVWWESGAQAAQLIKDGE
VDMIITWGGRVQGAINDGANFAYTFNDAQLGTDGYAIVKGAPHRDAAMRF
LKEMSKAEYQKDLPNSFATAPANMKAYDLAKYTPEKMATMASAPENVAVQ
YSVDPNFWAKHAKWASEAYDNVRLS
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 chain6tg2 Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tg2 Import pathways of the mannityl-opines into the bacterial pathogen Agrobacterium tumefaciens: structural, affinity and in vivo approaches.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		G237 Q240 G241 F295 A296
Binding residue
(residue number reindexed from 1)		G209 Q212 G213 F267 A268
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:6tg2, PDBe:6tg2, PDBj:6tg2
PDBsum6tg2
PubMed31922182
UniProtQ44384

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