MolNFT v1 · #147065 · protein

Menin bound to M-89

6E1A: “Menin bound to M-89”. X-ray diffraction, 2 ligands (7PR, HL7), 4 pockets (best druggability 0.66). MolNFT v1 #147065 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6E1A
Type: protein
Length: 481 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Menin
UniProt: O00255
Ligands: 7PR, HL7
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Menin	protein	481	55% helix, 7% strand	O00255

Ligands and binding sites

7PR · praseodymium triacetate · ligand · 5 copies · chains A
HL7 · (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl) sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	601	0.66	0.76	56	HL7
2	69	0.37	0.78	23	empty
3	64	0.33	0.76	13	empty
4	57	0.32	0.77	15	empty

Compared structures

6E1A · Menin bound to M-89 · the same entry in another collection · chain A against A, TM-score 1.00
O00255 · AlphaFold monomer V2.0 prediction for menin (O00255) · a predicted model of the same protein · chain A 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 O00255
Elsewhere: RCSB PDB 6E1A · PDBe 6E1A · UniProt O00255

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