Structure of PDB 4tsh Chain B Binding Site BS01

Receptor Information
>4tsh Chain B (length=485) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDLPTPPSVPTVHFHYFKLAVQPQVNKEIRNNNDINIDRTLVAKQSVVKF
QLKTADLPAGRDETTSFVLVDPLPSGYQFNPEATKAASPGFDVTYDNATN
TVTFKATAATLATFNADLTKSVATIYPTVVGQVLNDGATYKNNFTLTVND
AYGIKSNVVRVTTPGKPNDPDNPNNNYIKPTKVNKNENGVVIDGKTVLAG
STNYYELTWDLDQYKNDRSSADTIQKGFYYVDDYPEEALELRQDLVKITD
ANGNEVTGVSVDNYTNLEAAPQEIRDVLSKAGIRPKGAFQIFRADNPREF
YDTYVKTGIDLKIVSPMVVKKQMGQTGGSYENQAYQIDFGNGYASNIVIN
NVPKINPKKDVTNYRLIGGIIPANHSEELFKYNFYDDYDQTGDHYTGQYK
VFAKVDITLKNGVIIKSGTELTQYTTAEVDTTKGAITIKFKEAFLRSVSI
DSAFQAESYIQMKRIAVGTFENTYINTVNGVTYSS
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 chain4tsh Chain B Residue 1501 [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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PDB4tsh An intramolecular lock facilitates folding and stabilizes the tertiary structure of Streptococcus mutans adhesin P1.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N1155 Y1156 D1189 D1191 Q1192
Binding residue
(residue number reindexed from 1)		N176 Y177 D210 D212 Q213
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links