Structure of PDB 3kpt Chain B Binding Site BS01

Receptor Information
>3kpt Chain B (length=355) Species: 226900 (Bacillus cereus ATCC 14579) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSNEIKRGAVDLIKTGVNEKAMAGAVFSLFKKDGTEVKKELATDANGHIR
VQGLEYGEYYFQETKAPKGYVIDPTKREFFVKNSGTINEDGTITSGTVVK
MEVKNNEEPTIDKKINGKLEALPINPLTNYNYDIKTLIPEDIKEYKKYVV
TDTLDNRLVIQGKPIVKIDGAEVNANVVEVAIEGQKVTATVKDFTKMDGK
KEFHLQIKSQVKEGVPSGSEILNTAKIHFTNKNDVIGEKESKPVVVIPTT
GIIELTKIDSANKNKMKGAEFVLKDNNGKIVVVAGKEVTGVSDENGVIKW
SNIPYGDYQIFETKAPTYTKEDGTKTSYQLLKDPIDVKISENNQTVKLTI
ENNKS
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 chain3kpt Chain B Residue 599 [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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PDB3kpt Intramolecular amide bonds stabilize pili on the surface of bacilli.
Resolution2.102 Å
Binding residue
(original residue number in PDB)		K236 E238
Binding residue
(residue number reindexed from 1)		K76 E78
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links