Zinc in PDB 7bpc: Crystal Structure of 2, 3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum in Complex with 2,5-Dhba

The structure of Crystal Structure of 2, 3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum in Complex with 2,5-Dhba, PDB code: 7bpc was solved by M.K.Song, J.H.Feng, W.D.Liu, Q.Q.Wu, D.M.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.77 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.769, 129.739, 140.557, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.7

The binding sites of Zinc atom in the Crystal Structure of 2, 3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum in Complex with 2,5-Dhba (pdb code 7bpc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of 2, 3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum in Complex with 2,5-Dhba, PDB code: 7bpc:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 2, 3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum in Complex with 2,5-Dhba


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of 2, 3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum in Complex with 2,5-Dhba within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:30.0 occ:1.00 NE2 A:HIS168 2.1 39.9 1.0 OD1 A:ASP292 2.7 19.9 1.0 OE2 A:GLU9 2.8 44.4 1.0 HOAD A:GTQ401 2.9 57.5 1.0 CE1 A:HIS168 3.0 37.6 1.0 CD2 A:HIS168 3.2 40.5 1.0 HAF A:GTQ401 3.4 56.9 1.0 CG A:GLU9 3.5 42.3 1.0 CG A:ASP292 3.5 19.0 1.0 CD A:GLU9 3.5 43.5 1.0 OAD A:GTQ401 3.7 47.9 1.0 OD2 A:ASP292 3.8 30.2 1.0 ND1 A:HIS168 4.1 38.6 1.0 CAF A:GTQ401 4.2 47.4 1.0 O A:GLU9 4.3 40.1 1.0 CG A:HIS168 4.3 41.3 1.0 CAJ A:GTQ401 4.4 47.5 1.0 O A:HOH528 4.5 37.7 1.0 CE2 A:PHE295 4.6 43.9 1.0 CD2 A:PHE295 4.7 45.0 1.0 OE1 A:GLU9 4.7 42.6 1.0 CB A:ASP292 4.8 16.2 1.0 CB A:GLU9 4.9 38.1 1.0 CA A:ASP292 4.9 14.3 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 2, 3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum in Complex with 2,5-Dhba


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of 2, 3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum in Complex with 2,5-Dhba within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn403 b:30.0 occ:1.00 OD1 C:ASP292 2.5 46.4 1.0 O C:HOH566 3.0 38.0 1.0 NE2 C:HIS168 3.1 30.0 1.0 O C:GLU9 3.2 41.1 1.0 CG C:GLU9 3.4 41.1 1.0 OE2 C:GLU9 3.5 41.9 1.0 CG C:ASP292 3.6 43.6 1.0 CD2 C:HIS168 3.8 30.0 1.0 CD C:GLU9 3.9 42.3 1.0 C C:GLU9 4.0 42.5 1.0 CB C:ALA11 4.0 35.4 1.0 CE1 C:HIS168 4.1 30.0 1.0 HOAC C:GTQ401 4.2 61.5 1.0 OD2 C:ASP292 4.3 47.1 1.0 CE2 C:PHE295 4.3 44.9 1.0 CD2 C:PHE295 4.4 44.4 1.0 CA C:ASP292 4.4 39.9 1.0 CB C:ASP292 4.5 38.7 1.0 CB C:GLU9 4.6 41.8 1.0 O C:HOH528 4.6 33.0 1.0 OAC C:GTQ401 4.6 51.2 1.0 N C:ALA11 4.6 34.6 1.0 N C:GLU10 4.6 39.5 1.0 CA C:GLU9 4.7 43.1 1.0 CA C:ALA11 4.8 36.9 1.0 C C:ASP292 4.9 38.2 1.0 O C:TYR293 4.9 39.3 1.0 O C:ASP292 4.9 39.0 1.0 C C:GLU10 5.0 38.7 1.0 CG C:HIS168 5.0 30.0 1.0

M.Song, X.Zhang, W.Liu, J.Feng, Y.Cui, P.Yao, M.Wang, R.T.Guo, Q.Wu, D.Zhu. 2,3-Dihydroxybenzoic Acid Decarboxylase From Fusarium Oxysporum: Crystal Structures and Substrate Recognition Mechanism. Chembiochem V. 21 2950 2020.
ISSN: ESSN 1439-7633
PubMed: 32421914
DOI: 10.1002/CBIC.202000244