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An artificial di-iron oxo-protein with phenol oxidase activity

Analyse An artificial di-iron oxo-protein with phenol oxidase activity in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2KIK
Type: protein
Length: 96 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Artificial diiron protein
Ligands: ACE, ZN, NH2
Pockets: 1 · best druggability 0.56

Structure

solution nmr · 1 distinct chain · 83% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Artificial diiron protein	protein	48	83% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B
NH2 · Amino group · ion · 2 copies · chains A, B

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	169	0.56	0.81	20	empty

Interfaces

1 interface between chains.

A–B · 945 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

2KIK · An artificial di-iron oxo-protein with phenol oxidase activity · 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 2KIK · PDBe 2KIK

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