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2,3-dihydroxybenzoate decarboxylase of aspergillus oryzae

Analyse 2,3-dihydroxybenzoate decarboxylase of aspergillus oryzae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7A1A
Type: protein
Length: 678 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amidohydrolase 2
UniProt: A0A1S9DW14
Ligands: MG, CA
Pockets: 11 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Amidohydrolase 2	protein	339	54% helix, 13% strand	A0A1S9DW14

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B
CA · Calcium ion · metal · chains B

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	81	0.62	0.90	17	empty
2	85	0.58	0.87	19	empty
3	119	0.53	0.82	28	empty
4	101	0.53	0.83	22	empty
5	108	0.53	0.83	20	empty

Interfaces

1 interface between chains.

A–B · 728 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

7A1A · 2,3-Dihydroxybenzoate Decarboxylase of Aspergillus oryzae · 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 A0A1S9DW14
Elsewhere: RCSB PDB 7A1A · PDBe 7A1A · UniProt A0A1S9DW14

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