Structure of PDB 3qe5 Chain A Binding Site BS03

Receptor Information
>3qe5 Chain A (length=487) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQPQVNKEIRNNNDINIDRTLVAKQSVVKFQLKTADLPAGRDETTSFVLV
DPLPSGYQFNPEATKAASPGFDVTYDNATNTVTFKATAATLATFNADLTK
SVATIYPTVVGQVLNDGATYKNNFTLTVNDAYGIKSNVVRVTTPGKPNDP
DNPNNNYIKPTKVNKNENGVVIDGKTVLAGSTNYYELTWDLDQYKNDRSS
ADTIQKGFYYVDDYPEEALELRQDLVKITDANGNEVTGVSVDNYTNLEAA
PQEIRDVLSKAGIRPKGAFQIFRADNPREFYDTYVKTGIDLKIVSPMVVK
KQMGQTGGSYENQAYQIDFGNGYASNIVINNVPKINPKKDVTLTLDPADT
NNVDGQTIPLNTVFNYRLIGGIIPANHSEELFKYNFYDDYDQTGDHYTGQ
YKVFAKVDITLKNGVIIKSGTELTQYTTAEVDTTKGAITIKFKEAFLRSV
SIDSAFQAESYIQMKRIAVGTFENTYINTVNGVTYSS
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 chain3qe5 Chain A Residue 3 [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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PDB3qe5 Crystal Structure of the C-terminal Region of Streptococcus mutans Antigen I/II and Characterization of Salivary Agglutinin Adherence Domains.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D1388 Y1389 Q1391 K1434 G1435
Binding residue
(residue number reindexed from 1)		D389 Y390 Q392 K435 G436
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3qe5, PDBe:3qe5, PDBj:3qe5
PDBsum3qe5
PubMed21505225
UniProtP11657|PAC_STRMG Major cell-surface adhesin PAc (Gene Name=pac)

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