Chlorine in PDB 8s7t: Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant

The structure of Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant, PDB code: 8s7t was solved by T.B.Guerriere, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	143.22 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	89.525, 142.426, 286.436, 90, 90, 90
R / Rfree (%)	18.4 / 23.2

The binding sites of Chlorine atom in the Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant (pdb code 8s7t). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant, PDB code: 8s7t:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:70.3 occ:1.00 O A:GLY426 3.4 48.1 1.0 O A:PRO169 3.9 33.1 1.0 N A:GLY272 4.0 33.9 1.0 C A:ASN271 4.0 38.2 1.0 NZ A:LYS264 4.1 54.0 1.0 O A:GLN270 4.3 36.9 1.0 CA A:ASN271 4.3 37.8 1.0 O A:HOH770 4.3 36.4 1.0 O A:HOH723 4.3 35.3 1.0 C A:GLY426 4.4 43.4 1.0 O A:ASN271 4.4 39.9 1.0 O A:THR168 4.5 36.7 1.0 CA A:GLY272 4.6 39.0 1.0 C A:PRO169 4.6 40.2 1.0 CA A:PRO169 4.7 36.3 1.0 O A:HOH802 4.8 63.3 1.0 C A:GLN270 4.9 38.2 1.0 N A:GLY171 5.0 37.7 1.0 CA A:GLY426 5.0 38.1 1.0 N A:ASN271 5.0 38.1 1.0

Chlorine binding site 2 out of 4 in the Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:77.4 occ:1.00 NE2 A:GLN290 4.9 53.2 1.0

Chlorine binding site 3 out of 4 in the Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl605 b:82.5 occ:1.00 O A:HOH706 2.9 56.3 1.0 OD1 A:ASP329 3.7 56.9 1.0 NE A:ARG241 3.8 52.6 1.0 CZ A:PHE349 4.1 50.5 1.0 CG A:ARG241 4.3 48.0 1.0 CD1 A:LEU321 4.3 43.4 1.0 NH2 A:ARG241 4.3 48.2 1.0 CE1 A:PHE349 4.4 44.5 1.0 CZ A:ARG241 4.5 51.3 1.0 CD A:ARG241 4.6 50.5 1.0 CB A:ARG241 4.6 43.7 1.0 CE2 A:PHE349 4.7 46.9 1.0 CD1 A:TRP332 4.7 43.4 1.0 CB A:TRP332 4.8 43.9 1.0 CG A:TRP332 4.8 42.9 1.0 CG A:ASP329 4.9 47.9 1.0 CA A:ASP329 4.9 43.6 1.0

Chlorine binding site 4 out of 4 in the Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Vanillyl-Alcohol Dehydrogenase From Marinicaulis Flavus: P151N Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:71.8 occ:1.00 O B:HOH751 3.8 40.8 1.0 NH1 B:ARG413 4.0 45.0 1.0 CE B:MET314 4.3 50.3 1.0 CG1 B:ILE298 4.4 48.3 1.0 CG2 B:VAL279 4.6 41.0 1.0 CD1 B:ILE298 4.6 47.6 1.0 O B:ILE298 4.6 43.7 1.0 CB B:ALA303 4.7 46.1 1.0 CZ B:ARG413 4.8 45.8 1.0

T.B.Guerriere, A.Vancheri, I.Ricotti, S.A.Serapian, D.Eggerichs, D.Tischler, G.Colombo, M.L.Mascotti, M.W.Fraaije, A.Mattevi. Dehydrogenase Versus Oxidase Function: the Interplay Between Substrate Binding and Flavin Microenvironment Acs Catalysis 1046 2025.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.4C05944