Structure of PDB 8rf3 Chain A Binding Site BS01

Receptor Information

>8rf3 Chain A (length=118) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MEKTHVQLSLPVLQVRDVLVRGFGDSVEEVLSEARQHLKDGTCGLVEVEK
GVLPQLEQPYVFIKRSDARTAPHGHVMVELVAELEGIQYGRSGETLGVLV
PHVGEIPVAYRKVLLRKN

Ligand information

InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)

VFZQJKXVHYZXMM-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(cs2)CC(=O)O
CACTVS 3.385	OC(=O)Cc1csc2ccccc12

Formula

C10 H8 O2 S

Name

2-(1-benzothiophen-3-yl)ethanoic acid

PDB chain

8rf3 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	8rf3 High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Resolution	1.23 Å
Binding residue (original residue number in PDB)	V14 R43 L46 K47 K125
Binding residue (residue number reindexed from 1)	V6 R35 L38 K39 K117
Annotation score	1

External links

PDB	RCSB:8rf3, PDBe:8rf3, PDBj:8rf3
PDBsum	8rf3
PubMed	38841886
UniProt	P0DTD1\|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)

[Back to BioLiP]