MolNFT v1 · #155117 · protein

Crystal structure of caspase-11-card

6KXG: “Crystal structure of caspase-11-card”. X-ray diffraction, 14 pockets (best druggability 0.79). MolNFT v1 #155117 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6KXG
Type: protein
Length: 1,660 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-11-card
Pockets: 14 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 45% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Caspase-11-card	protein	427	44% helix, 17% strand	—
B	Caspase-11-card	protein	399	45% helix, 14% strand	—
C	Caspase-11-card	protein	419	45% helix, 15% strand	—
D	Caspase-11-card	protein	415	45% helix, 13% strand	—

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1099	0.79	0.80	122	empty
2	1109	0.79	0.80	135	empty
3	1163	0.77	0.79	110	empty
4	1010	0.75	0.78	107	empty
5	164	0.59	0.82	23	empty

Interfaces

6 interfaces between chains.

B–C · 2063 Å² buried · 21 hydrogen bonds · protein-protein
A–D · 1759 Å² buried · 18 hydrogen bonds · protein-protein
B–D · 453 Å² buried · 1 hydrogen bond · protein-protein
C–D · 425 Å² buried · 3 hydrogen bonds · protein-protein
A–C · 418 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6KXG · Crystal structure of caspase-11-CARD · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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

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