Zinc in PDB 4m65: In Situ Thermolysin Crystallized on A Mitegen Micromesh with Asparagine Ligand

The structure of In Situ Thermolysin Crystallized on A Mitegen Micromesh with Asparagine Ligand, PDB code: 4m65 was solved by X.Yin, A.Scalia, L.Leroy, C.M.Cuttitta, G.M.Polizzo, D.L.Ericson, C.G.Roessler, O.Campos, R.Agarwal, M.Allaire, A.M.Orville, R.Jackimowicz, M.Y.Ma, R.M.Sweet, A.S.Soares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.59 / 1.60
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.831, 92.831, 129.171, 90.00, 90.00, 120.00
R / Rfree (%)	13 / 15.9

The structure of In Situ Thermolysin Crystallized on A Mitegen Micromesh with Asparagine Ligand also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Zinc atom in the In Situ Thermolysin Crystallized on A Mitegen Micromesh with Asparagine Ligand (pdb code 4m65). 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 In Situ Thermolysin Crystallized on A Mitegen Micromesh with Asparagine Ligand, PDB code: 4m65:

Zinc binding site 1 out of 1 in the In Situ Thermolysin Crystallized on A Mitegen Micromesh with Asparagine Ligand


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of In Situ Thermolysin Crystallized on A Mitegen Micromesh with Asparagine Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn406 b:12.0 occ:1.00 OE1 A:GLU166 2.0 12.6 1.0 NE2 A:HIS142 2.0 11.2 1.0 NE2 A:HIS146 2.1 9.9 1.0 N A:ASN420 2.2 14.2 1.0 OXT A:ASN420 2.3 15.4 1.0 CD A:GLU166 3.0 12.2 1.0 CD2 A:HIS142 3.0 10.3 1.0 CE1 A:HIS142 3.0 10.6 1.0 CA A:ASN420 3.0 14.1 1.0 CE1 A:HIS146 3.1 9.3 1.0 C A:ASN420 3.1 16.7 1.0 OE2 A:GLU166 3.1 12.1 1.0 CD2 A:HIS146 3.2 10.8 1.0 CB A:ASN420 3.5 14.9 1.0 OH A:TYR157 3.9 13.5 1.0 O1 A:EDO418 4.0 16.7 1.0 ND1 A:HIS142 4.1 11.4 1.0 CG A:HIS142 4.2 10.7 1.0 ND1 A:HIS146 4.2 11.5 1.0 CG A:HIS146 4.3 9.7 1.0 ND2 A:ASN420 4.3 10.4 1.0 O A:ASN420 4.3 18.4 1.0 CG A:GLU166 4.3 11.1 1.0 O2 A:EDO418 4.4 16.0 1.0 OE1 A:GLU143 4.4 12.4 1.0 NE2 A:HIS231 4.4 14.0 1.0 CG A:ASN420 4.5 13.8 1.0 CB A:SER169 4.7 11.6 1.0 CZ A:TYR157 4.8 12.7 1.0 OG A:SER169 4.9 11.4 1.0 CE1 A:TYR157 4.9 12.7 1.0 C1 A:EDO418 5.0 20.0 1.0

X.Yin, A.Scalia, L.Leroy, C.M.Cuttitta, G.M.Polizzo, D.L.Ericson, C.G.Roessler, O.Campos, R.Agarwal, M.Allaire, A.M.Orville, R.Jackimowicz, M.Y.Ma, R.M.Sweet, A.S.Soares. Hitting the Target: Fragment Screening with Acoustic in Situ Co-Crystallization of Proteins Plus Fragment Libraries on Pin-Mounted Data-Collection Micromeshes Acta Crystallogr.,Sect.D V. D70 1177.
ISSN: ISSN 0907-4449