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Crystal structure of murine caspase-11

Analyse Crystal structure of murine caspase-11 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6NS7
Type: protein
Length: 969 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-11
EC: 3.4.22.64
UniProt: P70343
Ligands: SO4
Pockets: 10 · best druggability 0.78

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Caspase-11 (EC 3.4.22.64)	protein	244	32% helix, 18% strand	P70343
B, C	Caspase-11 (EC 3.4.22.64)	protein	242	35% helix, 18% strand	P70343
D	Caspase-11 (EC 3.4.22.64)	protein	241	33% helix, 19% strand	P70343

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D

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

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	296	0.78	0.90	25	empty
2	258	0.78	0.90	23	empty
3	58	0.75	1.00	27	empty
4	406	0.58	0.75	44	empty
5	140	0.50	0.79	34	empty

Interfaces

3 interfaces between chains.

A–B · 1509 Å² buried · 27 hydrogen bonds · protein-protein
C–D · 1423 Å² buried · 30 hydrogen bonds · protein-protein
B–D · 199 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6NS7 · Crystal structure of murine caspase-11 · the same entry in another collection · chain D against D, TM-score 1.00
P70343 · AlphaFold monomer V2.0 prediction for caspase-4 (P70343) · a predicted model of the same protein · chain D against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P70343
Elsewhere: RCSB PDB 6NS7 · PDBe 6NS7 · UniProt P70343

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