MolNFT v1 · #102250 · protein

Human menin with bound inhibitor miv-7

4OG7: “Human menin with bound inhibitor miv-7”. X-ray diffraction, 2 ligands (2SE, SO4), 2 pockets (best druggability 0.62). MolNFT v1 #102250 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4OG7
Type: protein
Length: 468 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Menin
UniProt: O00255
Ligands: 2SE, SO4
Pockets: 2 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Menin	protein	468	58% helix, 7% strand	O00255

Ligands and binding sites

2SE · 4-(3-{4-[(S)-cyclopentyl(hydroxy)pyridin-2-ylmethyl]piperidin-1-yl}propoxy)benzenesulfonamide · ligand · chains A
SO4 · Sulfate ion · ion · chains A
DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
PGE · Triethylene glycol · additive · chains A

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

Pockets

2 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	561	0.62	0.74	53	2SE
2	85	0.35	0.76	22	empty

Compared structures

4OG7 · Human menin with bound inhibitor MIV-7 · 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 4OG7 · PDBe 4OG7 · UniProt O00255

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