MolNFT v1 · #53727 · protein

ASAP1 inactive mutant E294Q, an extracellular toxic zinc metalloendopeptidase

2X3C · Toxic extracellular endopeptidase: “ASAP1 inactive mutant E294Q, an extracellular toxic zinc metalloendopeptidase”. X-ray diffraction, 3 ligands (ZN, SO4, CL), 3 pockets (best druggability 0.40). MolNFT v1 #53727 on GenesisL1: 3D…

PDB: 2X3C
Type: protein
Length: 284 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Toxic extracellular endopeptidase
EC: 3.4.24.39
UniProt: Q8GMV9
Ligands: ZN, SO4, CL
Pockets: 3 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Toxic extracellular endopeptidase (EC 3.4.24.39)	protein	284	35% helix, 24% strand	Q8GMV9

Ligands and binding sites

ZN · Zinc ion · metal · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	71	0.40	0.79	16	CL
2	75	0.35	0.76	21	empty
3	52	0.33	0.78	18	SO4

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

2X3C · AsaP1 inactive mutant E294Q, an extracellular toxic zinc metalloendopeptidase · 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 Q8GMV9
Elsewhere: RCSB PDB 2X3C · PDBe 2X3C · UniProt Q8GMV9

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