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Mutational and structural analysis of an ancestral D-type dye decolorizing peroxidase

Analyse Mutational and structural analysis of an ancestral D-type dye decolorizing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7ANV
Type: protein
Length: 467 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ancestral D-type dye decolorizing peroxidase
Ligands: HEM, SO4, OXY
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ancestral D-type dye decolorizing peroxidase	protein	467	30% helix, 18% strand	—

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
SO4 · Sulfate ion · ion · 7 copies · chains A
OXY · Oxygen molecule · ion · chains A
GOL · Glycerol · additive · chains A

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

Pockets

3 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	758	0.80	0.84	81	HEM, SO4, OXY
2	74	0.38	0.78	19	empty
3	96	0.34	0.73	21	GOL

Compared structures

7ANV · Mutational and structural analysis of an ancestral D-type dye decolorizing peroxidase · 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 7ANV · PDBe 7ANV

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