Zinc in PDB 4d52: Crystal Structure of Fucose Binding Lectin From Aspergillus Fumigatus (Afl) in Complex with L-Galactopyranose.

The structure of Crystal Structure of Fucose Binding Lectin From Aspergillus Fumigatus (Afl) in Complex with L-Galactopyranose., PDB code: 4d52 was solved by J.Houser, G.Cioci, J.Komarek, M.Wimmerowa, N.Kostlanova, M.Lahmann, A.Varrot, A.Imberty, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	111.82 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.030, 70.440, 117.800, 90.00, 108.34, 90.00
R / Rfree (%)	15.374 / 17.78

The structure of Crystal Structure of Fucose Binding Lectin From Aspergillus Fumigatus (Afl) in Complex with L-Galactopyranose. also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Zinc atom in the Crystal Structure of Fucose Binding Lectin From Aspergillus Fumigatus (Afl) in Complex with L-Galactopyranose. (pdb code 4d52). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of Fucose Binding Lectin From Aspergillus Fumigatus (Afl) in Complex with L-Galactopyranose., PDB code: 4d52:

Zinc binding site 1 out of 1 in the Crystal Structure of Fucose Binding Lectin From Aspergillus Fumigatus (Afl) in Complex with L-Galactopyranose.


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 Fucose Binding Lectin From Aspergillus Fumigatus (Afl) in Complex with L-Galactopyranose. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1317 b:17.0 occ:0.50 OD2 B:ASP246 2.0 28.2 1.0 SG B:CYS244 2.3 16.3 0.5 NE2 B:HIS252 2.4 27.9 1.0 CG B:ASP246 2.9 24.4 1.0 CB B:CYS244 3.2 19.6 0.5 CE1 B:HIS252 3.3 26.5 1.0 CB B:CYS244 3.3 16.7 0.5 OD1 B:ASP246 3.5 23.5 1.0 SG B:CYS244 3.5 22.4 0.5 CD2 B:HIS252 3.5 25.1 1.0 O B:HOH3181 3.8 26.6 1.0 NH2 B:ARG230 4.0 23.6 1.0 CB B:ASP246 4.1 22.9 1.0 CZ B:ARG230 4.1 23.2 1.0 NH1 B:ARG230 4.3 22.6 1.0 ND1 B:HIS252 4.4 25.5 1.0 CA B:CYS244 4.6 18.4 0.5 CG B:HIS252 4.6 25.1 1.0 CA B:CYS244 4.6 17.1 0.5 NE B:ARG230 4.6 22.6 1.0 C B:CYS244 4.8 17.8 1.0 N B:ASP246 4.9 20.3 1.0

J.Houser, J.Komarek, G.Cioci, A.Varrot, A.Imberty, M.Wimmerova. Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites Are Functionally Non-Equivalent Acta Crystallogr.,Sect.D V. 71 442 2015.
ISSN: ISSN 0907-4449
DOI: 10.1107/S1399004714026595