Zinc in PDB 4ow3: Thermolysin Structure Determined By Free-Electron Laser

All present enzymatic activity of Thermolysin Structure Determined By Free-Electron Laser:
3.4.24.27;

The structure of Thermolysin Structure Determined By Free-Electron Laser, PDB code: 4ow3 was solved by J.Hattne, N.Echols, R.Tran, J.Kern, R.J.Gildea, A.S.Brewster, R.Alonso-Mori, C.Glockner, J.Hellmich, H.Laksmono, R.G.Sierra, B.Lassalle-Kaiser, A.Lampe, G.Han, S.Gul, D.Difiore, D.Milathianaki, A.R.Fry, A.Miahnahri, W.E.White, D.W.Schafer, M.M.Seibert, J.E.Koglin, D.Sokaras, T.-C.Weng, J.Sellberg, M.J.Latimer, P.Glatzel, P.H.Zwart, R.W.Grosse-Kunstleve, M.J.Bogan, M.Messerschmidt, G.J.Williams, S.Boutet, J.Messinger, A.Zouni, J.Yano, U.Bergmann, V.K.Yachandra, P.D.Adams, N.K.Sauter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	68.47 / 2.10
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.893, 92.893, 130.438, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 26.3

The structure of Thermolysin Structure Determined By Free-Electron Laser also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Zinc atom in the Thermolysin Structure Determined By Free-Electron Laser (pdb code 4ow3). 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 Thermolysin Structure Determined By Free-Electron Laser, PDB code: 4ow3:

Zinc binding site 1 out of 1 in the Thermolysin Structure Determined By Free-Electron Laser


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermolysin Structure Determined By Free-Electron Laser within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:14.1 occ:0.90 NE2 A:HIS146 2.0 10.6 1.0 NE2 A:HIS142 2.1 10.1 1.0 O A:HOH647 2.1 12.3 1.0 OE2 A:GLU166 2.5 14.2 1.0 OE1 A:GLU166 2.6 13.0 1.0 CD A:GLU166 2.8 11.6 1.0 CE1 A:HIS146 2.9 11.3 1.0 HE1 A:HIS146 3.0 13.6 1.0 CE1 A:HIS142 3.0 8.4 1.0 CD2 A:HIS142 3.1 9.9 1.0 CD2 A:HIS146 3.1 9.2 1.0 HE1 A:HIS142 3.1 10.1 1.0 HD2 A:HIS142 3.3 11.9 1.0 HH A:TYR157 3.3 21.5 1.0 HD2 A:HIS146 3.3 11.1 1.0 HA A:GLU166 3.8 10.7 1.0 HB2 A:SER169 4.0 10.0 1.0 ND1 A:HIS146 4.0 9.9 1.0 OH A:TYR157 4.1 17.9 1.0 ND1 A:HIS142 4.1 7.6 1.0 CG A:HIS142 4.1 10.3 1.0 CG A:HIS146 4.2 11.2 1.0 HE1 A:TYR157 4.2 24.2 1.0 NE2 A:HIS231 4.2 12.1 1.0 HB3 A:SER169 4.3 10.0 1.0 CG A:GLU166 4.3 11.5 1.0 O A:HOH627 4.3 11.1 1.0 OE1 A:GLU143 4.4 11.4 1.0 O A:HOH612 4.4 11.5 1.0 CB A:SER169 4.5 8.4 1.0 HD2 A:HIS231 4.5 16.3 1.0 HG2 A:GLU166 4.6 13.8 1.0 OG A:SER169 4.6 9.5 1.0 OE2 A:GLU143 4.6 13.3 1.0 CA A:GLU166 4.7 8.9 1.0 CD2 A:HIS231 4.7 13.6 1.0 HD1 A:HIS146 4.8 11.9 1.0 CD A:GLU143 4.8 10.9 1.0 HD1 A:HIS142 4.8 9.1 1.0 HG3 A:GLU166 4.9 13.8 1.0 CE1 A:TYR157 4.9 20.1 1.0 CB A:GLU166 4.9 9.3 1.0 O A:HOH685 4.9 22.3 1.0 HB3 A:GLU166 4.9 11.2 1.0 HA A:GLU143 4.9 12.4 1.0 CZ A:TYR157 5.0 25.4 1.0 HH22 A:ARG203 5.0 10.4 1.0

J.Hattne, N.Echols, R.Tran, J.Kern, R.J.Gildea, A.S.Brewster, R.Alonso-Mori, C.Glockner, J.Hellmich, H.Laksmono, R.G.Sierra, B.Lassalle-Kaiser, A.Lampe, G.Han, S.Gul, D.Difiore, D.Milathianaki, A.R.Fry, A.Miahnahri, W.E.White, D.W.Schafer, M.M.Seibert, J.E.Koglin, D.Sokaras, T.C.Weng, J.Sellberg, M.J.Latimer, P.Glatzel, P.H.Zwart, R.W.Grosse-Kunstleve, M.J.Bogan, M.Messerschmidt, G.J.Williams, S.Boutet, J.Messinger, A.Zouni, J.Yano, U.Bergmann, V.K.Yachandra, P.D.Adams, N.K.Sauter. Accurate Macromolecular Structures Using Minimal Measurements From X-Ray Free-Electron Lasers. Nat.Methods V. 11 545 2014.
ISSN: ESSN 1548-7105
PubMed: 24633409
DOI: 10.1038/NMETH.2887