Structure of PDB 7vcn Chain A Binding Site BS01

Receptor Information
>7vcn Chain A (length=460) Species: 655813 (Streptococcus oralis ATCC 35037) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIHHVSIKDVLSKYVQLLPNGSSEFRVVKEKDGSSEILTENQVTFDTKTT
SEGLVEVTAKFSPNYSLEDGARYVLKFTVTSSQEALDAIAGDKKLEAGDA
EGSDVNKLYSNKGASVTYSYGIGNSQTKTKEYSDNPTFKPSDPLTVPVEV
EWQGVTGARTVITADQPSNVELKLVQKNKNGGSDNQDYRKTNVNVSKNVS
NETRNFEKVAKGYQYDLIAPDVPAFTKEIKNVGTESNPSFKVIYKQLPSL
TIKKVLEAENNLNKEFRIKVKLTSPDSKPLNGTFGEITVVNGEAEIRVEK
RKRWRGILSYLPRGTHYKVEEEAASTNGYHVTYENQEGDLNKDETSTVTN
HKLPSLSVTKKVTGKSFKITINIRDAQNSPLNGTYTATVNNKRTPLQFTN
GRASIDLNKDQTIKIDGLPLDSHYTVEEETNSSRGYQVSYENQEGKLDGD
KSATVTNNKN
Ligand information
Ligand ID7MT
InChIInChI=1S/C20H25N5O4.Tb/c26-19(27)17-5-1-3-15(22-17)13-24-9-7-21-8-10-25(12-11-24)14-16-4-2-6-18(23-16)20(28)29;/h1-6,21H,7-14H2,(H,26,27)(H,28,29);/q;+7/p-2
InChIKeyJWLMJALAUZUFRC-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9
CACTVS 3.385O=C1O[Tb]23OC(=O)c4cccc(CN5CCNCCN(CC5)Cc6cccc1[n+]26)[n+]34
FormulaC20 H23 N5 O4 Tb
NameTb-Xo4
ChEMBL
DrugBank
ZINC
PDB chain7vcn Chain C Residue 901 [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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PDB7vcn New structural insights into the PI-2 pilus from Streptococcus oralis, an early dental plaque colonizer.
Resolution2.343 Å
Binding residue
(original residue number in PDB)		S498 D499 K568
Binding residue
(residue number reindexed from 1)		S141 D142 K211
Annotation score1
External links