Research workbench

Human MALT1(329-728) in complex with mlt-747

Analyse Human MALT1(329-728) in complex with mlt-747 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6F7I
Type: protein
Length: 720 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mucosa-associated lymphoid tissue lymphoma translocation protein 1
EC: 3.4.22.-
UniProt: Q9UDY8
Ligands: CW5, MG
Pockets: 8 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-)	protein	355	25% helix, 32% strand	Q9UDY8
B	Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (EC 3.4.22.-)	protein	365	24% helix, 32% strand	Q9UDY8

Ligands and binding sites

CW5 · 1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	219	0.73	0.88	32	CW5
2	652	0.70	0.78	62	empty
3	239	0.67	0.84	31	CW5
4	55	0.65	0.95	16	empty
5	381	0.65	0.79	34	empty

Interfaces

1 interface between chains.

A–B · 823 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

6F7I · human MALT1(329-728) IN COMPLEX WITH MLT-747 · the same entry in another collection · chain A against A, TM-score 1.00
Q9UDY8 · AlphaFold monomer V2.0 prediction for mucosa-associated lymphoid tissue lymphoma… · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q9UDY8
Elsewhere: RCSB PDB 6F7I · PDBe 6F7I · UniProt Q9UDY8

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.