MolNFT v1 · #157216 · protein

SIALIDASE26 co-crystallized with dana

6MRV: “SIALIDASE26 co-crystallized with dana”. X-ray diffraction, 1 ligand (DAN), 11 pockets (best druggability 0.70). MolNFT v1 #157216 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6MRV
Type: protein
Length: 1,044 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SIALIDASE26
Ligands: DAN
Pockets: 11 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	SIALIDASE26	protein	522	6% helix, 45% strand	—

Ligands and binding sites

DAN · 2-deoxy-2,3-dehydro-N-acetyl-neuraminic acid · ligand · 2 copies · chains B, A

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

Pockets

11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	863	0.70	0.76	97	empty
2	328	0.68	0.82	30	empty
3	272	0.67	0.83	28	empty
4	167	0.59	0.82	23	DAN
5	152	0.57	0.82	23	DAN

Interfaces

1 interface between chains.

B–A · 1692 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

6MRV · Sialidase26 co-crystallized with DANA · 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
Elsewhere: RCSB PDB 6MRV · PDBe 6MRV

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