MolNFT v1 · #105384 · protein

Crystal structure of MERS coronavirus papain like protease

4R3D · Non-structural protein 3: “Crystal structure of MERS coronavirus papain like protease”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.61). MolNFT v1 #105384 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4R3D
Type: protein
Length: 639 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Non-structural protein 3
EC: 3.4.19.12, 3.4.22.69
UniProt: K9N638
Ligands: ZN
Pockets: 4 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Non-structural protein 3 (EC 3.4.19.12, 3.4.22.69)	protein	320	25% helix, 39% strand	K9N638
A	Non-structural protein 3 (EC 3.4.19.12, 3.4.22.69)	protein	319	24% helix, 38% strand	K9N638

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains B, A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	187	0.61	0.83	36	empty
2	147	0.48	0.77	27	empty
3	142	0.46	0.77	19	empty
4	96	0.42	0.78	17	empty

Interfaces

1 interface between chains.

B–A · 447 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4R3D · Crystal structure of MERS Coronavirus papain like protease · the same entry in another collection · chain B against B, 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 K9N638
Elsewhere: RCSB PDB 4R3D · PDBe 4R3D · UniProt K9N638

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