4BQV

Deposited: 2013-06-03 Released: 2014-06-18
Deposition Author(s): Banner, D.W., Benz, J., Gsell, B., Stihle, M., Ruf, A., Haap, W.

Experimental Data Snapshot

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

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

Literature

Haap, W., Banner, D.W.

To be published.

Macromolecule Content

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
CATHEPSIN S	A, B, C, D, E A, B, C, D, E, F, G, H	225	Mus musculus	Mutation(s): 1 EC: 3.4.22.27
UniProt & NIH Common Fund Data Resources
Find proteins for O70370 (Mus musculus) Explore O70370 Go to UniProtKB: O70370
IMPC: MGI:107341
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	O70370
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
8PW Query on 8PW Download Ideal Coordinates CCD File SDF format, chain J [auth B] SDF format, chain K [auth C] SDF format, chain L [auth D] SDF format, chain M [auth E] SDF format, chain O [auth G] SDF format, chain P [auth H] SDF format, chain I [auth A] SDF format, chain N [auth F] MOL2 format, chain J [auth B] MOL2 format, chain K [auth C] MOL2 format, chain L [auth D] MOL2 format, chain M [auth E] MOL2 format, chain O [auth G] MOL2 format, chain P [auth H] MOL2 format, chain I [auth A] MOL2 format, chain N [auth F]	I [auth A] J [auth B] K [auth C] L [auth D] M [auth E] I [auth A], J [auth B], K [auth C], L [auth D], M [auth E], N [auth F], O [auth G], P [auth H]	(2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide C₂₃ H₂₅ F₆ N₃ O₅ S BQFANXBGQBDGAL-FVTPRLSSSA-N		Interactions Focus chain I [auth A] Focus chain J [auth B] Focus chain K [auth C] Focus chain L [auth D] Focus chain M [auth E] Focus chain N [auth F] Focus chain O [auth G] Focus chain P [auth H] Interactions & Density Focus chain I [auth A] Focus chain J [auth B] Focus chain K [auth C] Focus chain L [auth D] Focus chain M [auth E] Focus chain N [auth F] Focus chain O [auth G] Focus chain P [auth H]