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The hybrid cage formed between PIZZA6-S and CU(II)-substituted trilacunary keggin

Analyse The hybrid cage formed between PIZZA6-S and CU(II)-substituted trilacunary… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7OV7
Type: protein
Length: 499 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PIZZA6-S
Ligands: PW9, CU, K
Pockets: 1 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	PIZZA6-S	protein	250	4% helix, 44% strand	—
B	PIZZA6-S	protein	249	7% helix, 37% strand	—

Ligands and binding sites

PW9 · Trilacunary Keggin · ligand · 2 copies · chains A, B
CU · Copper (II) ion · metal · 6 copies · chains A, B
K · Potassium ion · metal · 6 copies · 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	1112	0.88	0.90	105	PW9, K

Interfaces

1 interface between chains.

A–B · 769 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

7OV7 · The hybrid cage formed between Pizza6-S and Cu(II)-substituted trilacunary Keggin · 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
Elsewhere: RCSB PDB 7OV7 · PDBe 7OV7

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