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MolNFT v1 · #167315 · protein

2.30 a resolution structure of MERS 3CL protease in complex with inhibitor 6H

6VH1: “2.30 a resolution structure of MERS 3CL protease in complex with inhibitor 6H”. X-ray diffraction, 1 ligand (QZ7). MolNFT v1 #167315 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6VH1
Type
protein
Length
597 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
A0A1L2E0X0
Ligands
QZ7

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein298—A0A1L2E0X0
B—protein299—A0A1L2E0X0

Ligands and binding sites

  • QZ7 · N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6VH1 · 2.30 A resolution structure of MERS 3CL protease in complex with inhibitor 6h · the same entry in another collection · chain A against A, TM-score 1.00

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