Structure of PDB 5l9i Chain B Binding Site BS02

Receptor Information

>5l9i Chain B (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]

HMDVVIASSGGGWQEAQDKALWAPAAKALNITYTQDTFQNWAEARAQVES
GSVTWDIIQIGIADEPQAKAAGVLEKLDPDIVNKADFPPGSVTDSFVANS
NYSTLIAWNKKTYGDNGPKSMADFFDVKKFPGKRALWNQPIGMIEAAALA
LGTPRDKVYEFLSTEEGRKAAIAKLTELAPSVSVWWESGAQAAQLIKDGE
VDMIITWGGRVQGAINDGANFAYTFNDAQLGTDGYAIVKGAPHRDAAMRF
LKEMSKAEYQKDLPNSFATAPANMKAYDLAKYTPEKMATMASAPENVAVQ
YSVDPNFWAKHAKWASEAYDNVRLS

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

5l9i Chain B Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5l9i Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	G39 G40 A218 R238
Binding residue (residue number reindexed from 1)	G11 G12 A190 R210
Annotation score	4

External links

PDB	RCSB:5l9i, PDBe:5l9i, PDBj:5l9i
PDBsum	5l9i
PubMed	27609514

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