MolNFT v1 · #102705 · protein

Crystal structure of isolated operophtera brumata CPV18

4OTS · Polyhedrin: “Crystal structure of isolated operophtera brumata CPV18”. X-ray diffraction, 5 ligands (ACE, GTP, ATP), 4 pockets (best druggability 0.52). MolNFT v1 #102705 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4OTS
Type: protein
Length: 247 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Polyhedrin
UniProt: Q30C70
Ligands: ACE, GTP, ATP, MG, CL
Pockets: 4 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Polyhedrin	protein	247	22% helix, 31% strand	Q30C70

Ligands and binding sites

ACE · Acetyl group · ligand · chains A
GTP · Guanosine-5'-triphosphate · ligand · chains A
ATP · Adenosine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · chains 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	153	0.52	0.79	22	empty
2	60	0.31	0.76	18	empty
3	53	0.28	0.75	11	empty
4	52	0.27	0.74	20	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

4OTS · Crystal Structure of isolated Operophtera brumata CPV18 · 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 Q30C70
Elsewhere: RCSB PDB 4OTS · PDBe 4OTS · UniProt Q30C70

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