MolNFT v1 · #92080 · protein

Crystal structure of the lon-like protease mtalonc in complex with MG262

4FWH · TTC1975 peptidase: “Crystal structure of the lon-like protease mtalonc in complex with MG262”. X-ray diffraction, 2 ligands (CIX, PO4), 8 pockets (best druggability 0.62). MolNFT v1 #92080 on GenesisL1: 3D structure, binding sites…

PDB: 4FWH
Type: protein
Length: 581 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TTC1975 peptidase
EC: 3.4.21.53
UniProt: C9DRU9
Ligands: CIX, PO4
Pockets: 8 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	TTC1975 peptidase (EC 3.4.21.53)	protein	581	39% helix, 20% strand	C9DRU9

Ligands and binding sites

CIX · N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide · ligand · chains A
PO4 · Phosphate ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	305	0.62	0.79	24	empty
2	121	0.61	0.86	21	empty
3	250	0.60	0.80	32	CIX
4	143	0.58	0.83	16	empty
5	60	0.50	0.85	17	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

4FWH · Crystal structure of the Lon-like protease MtaLonC in complex with MG262 · 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 C9DRU9
Elsewhere: RCSB PDB 4FWH · PDBe 4FWH · UniProt C9DRU9

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