Structure of PDB 9biw Chain A Binding Site BS02

Receptor Information
>9biw Chain A (length=527) Species: 100225 (Austwickia chelonae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVLKDQSTTVDSFTSYHGAKPESFNAVLTGIKKPEKGSQGNNDPDWKGF
YTTDNKHAAAGYTVSDESVLSGKAGGVVRVTYPGKTRILAVKSLSAAELK
GKLGLDSAKPLIDQLNDKSFLEKYGDGANRVVLKMPFADGTEDSEFIHNW
KDAEQLSVETEVRFDNLGKRGQDAMNSYMNMANCPSSPGKICLSKINWKN
VREKADALTKKVHADKEFMDKLSTHHQRGEAPSVEKTTALHNALLEHESF
SALKGARASGKVGAAASTAAWGVAVAQAFTDPKADALTKTAATLSVVPGL
GQALGIADGIKHENTEEIVVQSISLAGLLAAQAIPVVGEAVDFGLLVYQL
VETIVDLATHLSSAAANPPTEATDSVRPAVSLGLRAGWKTEEDAKLHIGS
PYGMKFQRIVLSAEEGKEIPFVRAAVAVDSKFLKINGPRSFVVQNGIKTP
MACFETEGNLAFCRPSRPIFLSSSSPATLHLSYVTNEHENGTIKNPTVDI
LGQRIVENKVITANKVSLVYKVDSSNT
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 chain9biw Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9biw A diphtheria toxin-like intracellular delivery platform that evades pre-existing antidrug antibodies
Resolution2.496 Å
Binding residue
(original residue number in PDB)		D143 T145 D147
Binding residue
(residue number reindexed from 1)		D139 T141 D143
Annotation score4
External links