Structure of PDB 3opu Chain A Binding Site BS01

Receptor Information
>3opu Chain A (length=338) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YIKPTKVNKNENGVVIDDKTVLAGSTNYYELTWDLDQYKNDRSSADTIQK
GFYYVDDYPEEALELRQDLVKITDANGNEVTGVSVDNYTSLEAAPQEIRD
VLSKAGIRPKGAFQIFRADNPREFYDTYVKTGIDLKIVSPMVVKKQMGQT
GGSYENQAYQIDFGNGYASNIVINNVPKINPKKDVTLTLDPADTNNVDGQ
TIPLNTVFNYRLIGGIIPANHSEELFEYNFYDDYDQTGDHYTGQYKVFAK
VDIILKNGVIIKSGTELTQYTTAEVDTTKGAITIKFKEAFLRSVSIDSAF
QAESYIQMKRIAVGTFENTYINTVNGVTYSSNTVKTTT
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 chain3opu Chain A Residue 4 [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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PDB3opu Structure of the C-terminal domain of the surface antigen SpaP from the caries pathogen Streptococcus mutans.
Resolution2.181 Å
Binding residue
(original residue number in PDB)		D1208 Y1209 E1211 K1261 A1263
Binding residue
(residue number reindexed from 1)		D57 Y58 E60 K110 A112
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3opu, PDBe:3opu, PDBj:3opu
PDBsum3opu
PubMed21206016
UniProtP11657|PAC_STRMG Major cell-surface adhesin PAc (Gene Name=pac)

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