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Human menin in complex with AJ21

Analyse Human menin in complex with AJ21 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6S2K
Type: protein
Length: 931 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multiple endocrine neoplasia I, isoform CRA_B
UniProt: A0A024R5E3
Ligands: KTQ
Pockets: 6 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Multiple endocrine neoplasia I, isoform CRA_B	protein	468	54% helix, 6% strand	A0A024R5E3
B	Multiple endocrine neoplasia I, isoform CRA_B	protein	463	54% helix, 6% strand	A0A024R5E3

Ligands and binding sites

KTQ · ~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl) imidazo[1,2-a]pyridin-3-amine · ligand · chains B

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1096	0.79	0.81	95	empty
2	615	0.66	0.76	59	empty
3	533	0.63	0.75	49	KTQ
4	92	0.37	0.76	20	empty
5	63	0.31	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 648 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6S2K · Human Menin in complex with AJ21 · 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
Every structure of UniProt A0A024R5E3
Elsewhere: RCSB PDB 6S2K · PDBe 6S2K · UniProt A0A024R5E3

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