Structure of PDB 4mix Chain B Binding Site BS02

Receptor Information
>4mix Chain B (length=277) Species: 553480 (Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIRKYIARKSAIKIFNQSINYSATKWPPEPIDKNIHMIWIGTKNISEKNI
KLSIDTAKKNPDYNTSIIYDSGISGHEGAKKFMLEKFQDSNVNIIDFRKK
SYFSQLKQEPSFAYYEQVIAENKYAQASDILRLLVLKYEGGIYKDIDDIQ
VKGFGSLTFPKGIGVMREYAPATAFPNTPIAVTKNNPIINKTLDLAVSNY
QRGEKNVLKLAGPDVFTQALYQEIPGLDSKVLNAQLYQLELAKRQALGVP
DEQLTSAEKEKINRPYQSIRGLSGYVE
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 chain4mix Chain B Residue 2502 [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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PDB4mix A bacterial toxin catalyzing tyrosine glycosylation of Rho and deamidation of Gq and Gi proteins.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D2276 D2278
Binding residue
(residue number reindexed from 1)		D145 D147
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
3.5.1.44: protein-glutamine glutaminase.
External links
PDB RCSB:4mix, PDBe:4mix, PDBj:4mix
PDBsum4mix
PubMed24141704
UniProtC7BKP9|PATOX_PHOAA Toxin PAU_02230 (Gene Name=PAU_02230)

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