Structure of PDB 6hro Chain A

Receptor sequence

>6hroA (length=258) Species: 128952 (Ebola virus - Mayinga, Zaire, 1976) [Search protein sequence]

GRSIPLGVIHNSALQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDV
PSATKRWGFRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGI
RGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEG
VVAFLILPQAKKSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRF
TPQFLLQLNETIYTSGKRSNTTGKLIWKVNPEIDTTWAFWESEELSFTVV
AAAAAAAA

3D structure

PDB

6hro Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.

Chain

Resolution

2.3 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	GKZ	A	L186 P187 K190 K191	L157 P158 K161 K162	MOAD: ic50=0.05uM PDBbind-CN: -logKd/Ki=7.30,IC50=0.05uM
BS02	GKZ	A	N61 R64 V66 G67 E100 A101	N32 R35 V37 G38 E71 A72	MOAD: ic50=0.05uM PDBbind-CN: -logKd/Ki=7.30,IC50=0.05uM

External links

PDB	RCSB:6hro, PDBe:6hro, PDBj:6hro
PDBsum	6hro
PubMed	30785281
UniProt	Q05320\|VGP_EBOZM Envelope glycoprotein (Gene Name=GP)

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