Structure of PDB 3opu Chain F Binding Site BS01

Receptor Information

>3opu Chain F (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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

3opu Chain F Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	3opu Structure of the C-terminal domain of the surface antigen SpaP from the caries pathogen Streptococcus mutans.
Resolution	2.181 Å
Binding residue (original residue number in PDB)	D1208 Y1209 K1261 A1263
Binding residue (residue number reindexed from 1)	D57 Y58 K110 A112
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:3opu, PDBe:3opu, PDBj:3opu
PDBsum	3opu
PubMed	21206016
UniProt	P11657\|PAC_STRMG Major cell-surface adhesin PAc (Gene Name=pac)

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