Structure of PDB 3ipk Chain B Binding Site BS01

Receptor Information
>3ipk Chain B (length=489) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AANEADYQAKLTAYQTELARVQKANADAKAAYEAAVAANNAANAALTAEN
TAIKKRNADAKADYEAKLAKYQADLAKYQKDLADYPVKLKAYEDEQTSIK
AALAELEKHKNEDGNLTEPSAQNLVYDLEPNANLSLTTDGKFLKASAVDD
AFSKSTSKAKYDQKILQLDDLDITNLEQSNDVASSMELYGNFGDKAGWST
TVSNNSQVKWGSVLLERGQSATATYTNLQNSYYNGKKISKIVYKYTVDPK
SKFQGQKVWLGIFTDPTLGVFASAYTGQVEKNTSIFIKNEFTFYDEDGKP
INFDNALLSVASLNREHNSIEMAKDYSGKFVKISGSSIGEKNGMIYATDT
LNFKQGEGGSRWTMYKNSQAGSGWDSSDAPNSWYGAGAIKMSGPNNYVTV
GATSATNVMPVSDMPVVPGKDNTDGKKPNIWYSLNGKIRAVNVPKVTKEK
PTPPVKPTAPTKPTYETEKPLKPAPVAPNYEKEPTPPTR
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 chain3ipk Chain B Residue 905 [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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PDB3ipk Elongated fibrillar structure of a streptococcal adhesin assembled by the high-affinity association of alpha- and PPII-helices.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		S697 N699 E706
Binding residue
(residue number reindexed from 1)		S312 N314 E321
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links