MolNFT v1 · #111827 · protein

Crystal structure of unglycosylated apo human furin @1.89A

4Z2A: “Crystal structure of unglycosylated apo human furin @1.89A”. X-ray diffraction, 2 ligands (CA, PO4), 3 pockets (best druggability 0.47). MolNFT v1 #111827 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4Z2A
Type: protein
Length: 465 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Furin
EC: 3.4.21.75
UniProt: P09958
Ligands: CA, PO4
Pockets: 3 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Furin (EC 3.4.21.75)	protein	465	20% helix, 28% strand	P09958

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A
PO4 · Phosphate ion · ion · 2 copies · chains A
EDO · 1,2-ethanediol · 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	135	0.47	0.78	18	empty
2	129	0.40	0.75	28	PO4, EDO
3	81	0.33	0.74	21	empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

4Z2A · Crystal structure of unglycosylated apo human furin @1.89A · the same entry in another collection · chain A against A, TM-score 1.00
P09958 · AlphaFold monomer V2.0 prediction for furin (P09958) · a predicted model of the same protein · 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 P09958
Elsewhere: RCSB PDB 4Z2A · PDBe 4Z2A · UniProt P09958

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