9KU9 | pdb_00009ku9

Structure of mpox core protease mutant

PDB DOI: https://doi.org/10.2210/pdb9KU9/pdb

Classification: VIRAL PROTEIN
Organism(s): Monkeypox virus
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2024-12-03 Released: 2025-03-12
Deposition Author(s): Dong, X., Wang, H., Ji, X., Gao, Y., Wang, W., Yang, H.
Funding Organization(s): National Natural Science Foundation of China (NSFC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.20 ?
R-Value Free:
0.224 (Depositor), 0.228 (DCC)
R-Value Work:
0.188 (Depositor), 0.192 (DCC)
R-Value Observed:
0.190 (Depositor)

Starting Model: in silico
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wwPDB Validation 3D Report Full Report

This is version 1.0 of the entry. See complete history.

Literature

Structure of mpox core protease mutant

Dong, X., Wang, H., Ji, X., Gao, Y., Wang, W., Yang, H.

To be published.

Macromolecule Content

Total Structure Weight: 98.81 kDa
Atom Count: 6,272
Modelled Residue Count: 738
Deposited Residue Count: 854
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
MPXVgp068	A [auth B], B [auth C]	427	Monkeypox virus	Mutation(s): 1 Gene Names: MPXV-USA2003_099_GR-066, MPXV-USA2003_206_DM-066, MPXV-USA2003_223_RS-066, MPXV_USA2003_039_073, MPXV_USA2003_044_073
UniProt
Find proteins for Q3I7P9 (Monkeypox virus) Explore Q3I7P9 Go to UniProtKB: Q3I7P9
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q3I7P9
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.20 ?
R-Value Free: 0.224 (Depositor), 0.228 (DCC)
R-Value Work: 0.188 (Depositor), 0.192 (DCC)
R-Value Observed: 0.190 (Depositor)

Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( ? )	Angle ( ? )
a = 42.734	α = 90
b = 113.5	β = 90
c = 192.813	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement
XDS	data scaling
XDS	data reduction
PHENIX	phasing

Structure Validation

View Full Validation Report

Entry History & Funding Information

Deposition Data

Released Date: 2025-03-12

Deposition Author(s):

Funding Organization	Location	Grant Number
National Natural Science Foundation of China (NSFC)	China	81902063

Revision History (Full details and data files)

Version 1.0: 2025-03-12
Type: Initial release

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.