MolNFT v1 · #156753 · protein

Crystal structure of tylonycteris bat coronavirus HKU4 macrodomain in complex with nicotinamide adenine dinucleotide (NAD+)

6MEB · Replicase polyprotein 1AB: “Crystal structure of tylonycteris bat coronavirus HKU4 macrodomain in complex with nicotinamide adenine…”. X-ray diffraction, 1 ligand (NAD), 3 pockets (best druggability 0.71). MolNFT v1 #156753 on…

PDB: 6MEB
Type: protein
Length: 322 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Replicase polyprotein 1AB
UniProt: P0C6W3
Ligands: NAD
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Replicase polyprotein 1AB	protein	162	37% helix, 22% strand	P0C6W3
B	Replicase polyprotein 1AB	protein	160	38% helix, 22% strand	P0C6W3

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B

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

Pockets

3 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	726	0.71	0.78	68	NAD
2	201	0.54	0.78	30	NAD
3	72	0.34	0.75	11	empty

Interfaces

1 interface between chains.

A–B · 327 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

6MEB · Crystal structure of Tylonycteris bat coronavirus HKU4 macrodomain in complex with… · 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 P0C6W3
Elsewhere: RCSB PDB 6MEB · PDBe 6MEB · UniProt P0C6W3

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