7HLA

PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z111634612

PDB DOI: https://doi.org/10.2210/pdb7HLA/pdb
Deposition Group: G_1002320 (changed state) ExploreG_1002320

Classification: LIGASE
Organism(s): Mus musculus
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2024-11-04 Released: 2024-11-27
Deposition Author(s): Kim, Y., Marples, P., Fearon, D., von Delft, F., Knapp, S., Kraemer, A., Structural Genomics Consortium (SGC)
Funding Organization(s): European Union (EU)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.23 Å
R-Value Free: 0.190
R-Value Work: 0.173
R-Value Observed: 0.174

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

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

Literature

PanDDA analysis group deposition

Kim, Y., Marples, P., Fearon, D., von Delft, F., Knapp, S., Kraemer, A., Structural Genomics Consortium (SGC)

To be published.

Macromolecule Content

Total Structure Weight: 22.44 kDa
Atom Count: 1,762
Modelled Residue Count: 185
Deposited Residue Count: 188
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
E3 ubiquitin-protein ligase TRIM21	A [auth B]	188	Mus musculus	Mutation(s): 0 Gene Names: Trim21, Ro52, Ssa1 EC: 2.3.2.27
UniProt
Find proteins for Q62191 (Mus musculus) Explore Q62191 Go to UniProtKB: Q62191
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q62191
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
EPE Query on EPE Download Ideal Coordinates CCD File SDF format, chain D [auth B] MOL2 format, chain D [auth B] mmCIF format, chain D [auth B]	D [auth B]	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID C₈ H₁₈ N₂ O₄ S JKMHFZQWWAIEOD-UHFFFAOYSA-N		Interactions Focus chain D [auth B] Interactions & Density Focus chain D [auth B]
A1BE6 (Subject of Investigation/LOI) Query on A1BE6 Download Ideal Coordinates CCD File SDF format, chain C [auth B] SDF format, chain G [auth B] MOL2 format, chain C [auth B] MOL2 format, chain G [auth B] mmCIF format, chain C [auth B] mmCIF format, chain G [auth B]	C [auth B], G [auth B]	(8R)-2-methyl-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one C₉ H₁₂ N₄ O ZRLXWRPBRRVUPP-UHFFFAOYSA-N		Interactions Focus chain C [auth B] Focus chain G [auth B] Interactions & Density Focus chain C [auth B] Focus chain G [auth B]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain F [auth B] MOL2 format, chain F [auth B] mmCIF format, chain F [auth B]	F [auth B]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain F [auth B] Interactions & Density Focus chain F [auth B]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain B SDF format, chain E [auth B] MOL2 format, chain B MOL2 format, chain E [auth B] mmCIF format, chain B mmCIF format, chain E [auth B]	B, E [auth B]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain B Focus chain E [auth B] Interactions & Density Focus chain B Focus chain E [auth B]