Structure of PDB 3qe5 Chain A Binding Site BS04

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 IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3qe5 Chain A Residue 7 [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)		R1018 D1150
Binding residue
(residue number reindexed from 1)		R19 D151
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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