MolNFT v1 · #131914 · protein

Pandda analysis group deposition -- crystal structure of human PARP14 macrodomain 3 in complex with FMOPL000605A

5QI8 · Poly [ADP-ribose] polymerase 14: “Pandda analysis group deposition -- crystal structure of human PARP14 macrodomain 3 in complex with…”. X-ray diffraction, 2 ligands (GVY, CL), 1 pocket (best druggability 0.51). MolNFT v1 #131914 on…

PDB: 5QI8
Type: protein
Length: 182 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Poly [ADP-ribose] polymerase 14
EC: 2.4.2.30
UniProt: Q460N5
Ligands: GVY, CL
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Poly [ADP-ribose] polymerase 14 (EC 2.4.2.30)	protein	182	37% helix, 26% strand	Q460N5

Ligands and binding sites

GVY · 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol · ligand · chains A
CL · Chloride ion · ion · 2 copies · chains A
DMS · Dimethyl sulfoxide · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	136	0.51	0.80	28	CL, GVY

Compared structures

5QI8 · PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in… · 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 Q460N5
Elsewhere: RCSB PDB 5QI8 · PDBe 5QI8 · UniProt Q460N5

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