MolNFT v1 · #145098 · protein

Crystal structure of peptidyl arginine deiminase type III (PADI3)

6CE1 · Protein-arginine deiminase type-3: “Crystal structure of peptidyl arginine deiminase type III (PADI3)”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #145098 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6CE1
Type: protein
Length: 594 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein-arginine deiminase type-3
EC: 3.5.3.15
UniProt: Q9ULW8
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein-arginine deiminase type-3 (EC 3.5.3.15)	protein	594	15% helix, 37% strand	Q9ULW8

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	545	0.76	0.83	69	empty
2	172	0.70	0.88	28	empty
3	211	0.50	0.76	27	empty
4	63	0.48	0.84	14	empty
5	64	0.39	0.80	20	empty

Compared structures

6CE1 · Crystal structure of Peptidyl Arginine Deiminase Type III (PADI3) · the same entry in another collection · chain A against A, TM-score 1.00
Q9ULW8 · AlphaFold monomer V2.0 prediction for protein-arginine deiminase type-3 (Q9ULW8) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 Q9ULW8
Elsewhere: RCSB PDB 6CE1 · PDBe 6CE1 · UniProt Q9ULW8

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