6MVO: HCV NS5B 1A Y316

HCV NS5B 1A Y316 bound to Compound 49. Determined by X-ray diffraction at 1.95 Å resolution. Released 4 Sept 2019.

Method

X-ray diffraction

Resolution

1.95 Å

Organism

Hepacivirus C

Chains

2

Atoms

9,065

Mol. weight

125.81 kDa

Ligands

K4P

Released

4 Sept 2019

Explore 6MVO in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6MVO contains 85 α-helices and 56 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 43 helices, 29 β-strands

Molecules and chains

>6MVO_1 RNA-directed RNA polymerase (chains A, B)
SMSYSWTGALVTPCAAEEQKLPINALSNSLLRHHNLVYSTTSRSACQRQKKVTFDRLQVL
DSHYQDVLKEVKAAASKVKANLLSVEEACSLTPPHSAKSKYGYGAKDVRSHASRAVAHIN
SVWKDLLEDSVTPIDTTIMAKNEVFCVQPEKGGRKPARLIVFPDLGVRVCEKMALYDVVS
KLPLAVMGSSYGFQYSPGQRVEFLVQAWKSKKTPMGFSYDTRCFDSTVTESDIRTEEAIY
QCCDLDPQARVAIKSLTERLYVGGPLTNSRGENCGYRRCRASGVLTTSCGNTLTCYIKAR
AACRAAGLQDCTMLVYGDDLVVICESAGVQEDAASLRAFTEAMTRYSAPPGDPPQPEYDL
ELITSCSSNVSVAHDGAGKRVYYLTRDPTTPLARAAWETARHTPVNSWLGNIIMFAPTLW
ARMILMTHFFSVLIARDQLEQALDCEIYGACYSIEPLDLPPIIQRLHGLSAFSLHSYSPG
EINRVAACLRKLGVPPLRAWRHRARSVRARLLSRGGRAAICGKYLFNWAVRTKLKLTPIA
AAGQLALSGWFTAGYSGGDIYH

Ligands and cofactors

Water and common crystallization additives (SO4) are not listed.

Primary citation

Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. Chong, P.Y., Shotwell, J.B., Miller, J. et al. J Med Chem (2019) 62:3254-3267. DOI 10.1021/acs.jmedchem.8b01719 · PubMed

Related structures

Other PDB entries of the same protein (UniProt P26664 (AlphaFold model), which also has an AlphaFold model), best resolution first:

• 3RC4 1.5 Å, Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease
• 3HKW 1.55 Å, HCV NS5B genotype 1a in complex with 1,5 benzodiazepine inhibitor 6
• 7MME 1.56 Å, Crystal structure of HCV NS3/4A D168A protease in complex with JZ01-15
• 3RC5 1.6 Å, Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease
• 7MMA 1.65 Å, Crystal structure of HCV NS3/4A protease in complex with NR01-145
• 7MML 1.7 Å, Crystal structure of HCV NS3/4A D168A protease in complex with NR01-145
• 6P6L 1.73 Å, HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
• 6P6R 1.75 Å, HCV NS3/4A protease domain of genotype 1a3a chimera in complex with glecaprevir
• 7MM3 1.78 Å, Crystal structure of HCV NS3/4A protease in complex with NR01-127
• 5VOJ 1.8 Å, Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of…
• 3QGI 1.8 Å, Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a…
• 5VP9 1.86 Å, Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3

Browse structure collections

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