Chlorine in PDB 9mp4: Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms)

All present enzymatic activity of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms):
3.2.1.17;

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms), PDB code: 9mp4 was solved by M.J.Mcleod, J.A.Indergaard, R.E.Thorne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.35 / 1.82
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.277, 78.277, 37.626, 90, 90, 90
R / Rfree (%)	16.9 / 22.1

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms) (pdb code 9mp4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms), PDB code: 9mp4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:18.8 occ:1.00 OH A:TYR41 3.0 10.8 1.0 O A:HOH366 3.3 16.5 1.0 CZ A:TYR41 3.7 13.5 1.0 CE2 A:TYR41 3.8 13.1 1.0 CA A:GLY122 4.1 14.2 1.0 O A:ARG39 4.6 17.1 1.0 N A:GLY122 4.6 10.1 1.0 CE1 A:TYR41 4.9 10.8 1.0 CD2 A:TYR41 5.0 9.4 1.0

Chlorine binding site 2 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:23.3 occ:1.00 OG A:SER42 2.9 19.4 1.0 N A:GLY44 3.2 9.4 1.0 CA A:GLY44 3.4 12.9 1.0 CB A:SER42 3.4 19.2 1.0 CA A:GLN139 3.6 17.8 1.0 O A:HOH391 3.6 36.6 1.0 CD1 A:ILE142 3.8 25.4 1.0 CB A:GLN139 3.9 17.3 1.0 N A:GLN139 3.9 18.5 1.0 CG A:GLN139 4.1 22.2 1.0 CG1 A:ILE142 4.2 16.9 1.0 C A:VAL138 4.3 21.6 1.0 N A:LEU43 4.4 13.9 1.0 O A:VAL138 4.4 16.6 1.0 C A:SER42 4.4 16.4 1.0 C A:LEU43 4.4 14.6 1.0 CG2 A:VAL138 4.4 19.0 1.0 C A:GLY44 4.5 17.5 1.0 CA A:SER42 4.5 17.5 1.0 N A:ASN45 4.6 14.0 1.0 C A:GLN139 4.8 19.0 1.0 O A:SER42 4.8 17.0 1.0 CA A:LEU43 4.9 12.6 1.0 O A:GLN139 5.0 20.7 1.0

Chlorine binding site 3 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:23.1 occ:1.00 O A:HOH432 2.9 29.9 1.0 O A:HOH382 3.1 15.1 1.0 O A:HOH328 3.3 33.4 1.0 N A:THR87 3.3 18.4 1.0 O A:THR87 3.4 21.8 1.0 O A:HOH405 3.5 31.7 1.0 CA A:GLY85 3.5 17.1 1.0 C A:GLY85 3.6 16.9 1.0 N A:ARG86 3.6 14.3 1.0 N A:GLY85 3.6 14.1 1.0 OG A:SER90 3.6 23.5 1.0 ND2 A:ASN83 3.6 13.9 1.0 C A:THR87 3.7 18.7 1.0 O A:HOH335 3.9 19.2 1.0 CA A:THR87 4.0 18.6 1.0 O A:GLY85 4.2 21.7 1.0 CB A:THR87 4.3 18.7 1.0 C A:ARG86 4.3 22.1 1.0 OD1 A:ASP84 4.3 17.3 1.0 CA A:ARG86 4.4 14.4 1.0 N A:PRO88 4.4 27.6 1.0 C A:ASP84 4.7 14.9 1.0 NA A:NA206 4.7 20.1 1.0 CA A:PRO88 4.8 30.4 1.0 N A:ASP84 4.9 11.6 1.0 CG A:ASN83 4.9 19.9 1.0 OG1 A:THR87 4.9 17.9 1.0 CB A:SER90 4.9 19.6 1.0

Chlorine binding site 4 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (8 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:31.8 occ:1.00 O A:HOH318 3.3 33.8 1.0 O A:HOH315 3.3 33.3 1.0 N A:ILE106 3.3 19.4 1.0 O A:HOH437 3.6 40.1 1.0 CG1 A:ILE106 3.6 14.8 1.0 O A:HOH357 3.6 28.3 1.0 CA A:ASP105 3.9 19.5 1.0 O A:SER104 4.1 21.8 1.0 CZ A:PHE21 4.1 18.6 1.0 CB A:ALA29 4.1 23.1 1.0 C A:ASP105 4.1 14.9 1.0 CE1 A:HIS33 4.1 22.8 1.0 CB A:ILE106 4.2 14.1 1.0 CG2 A:ILE106 4.2 18.9 1.0 NH2 A:ARG32 4.3 28.2 1.0 CA A:ILE106 4.3 13.6 1.0 OD1 A:ASP105 4.3 22.5 1.0 CG A:ASP105 4.4 34.3 1.0 CD1 A:ILE106 4.5 14.0 1.0 CE2 A:PHE21 4.6 16.5 1.0 CB A:ASP105 4.7 18.0 1.0 ND1 A:HIS33 4.8 22.4 1.0 OD2 A:ASP105 4.8 38.4 1.0 N A:ASP105 4.9 14.4 1.0 C A:SER104 4.9 17.7 1.0

J.A.Indergaard, K.Mahmood, L.Gabriel, G.Zhong, A.Lastovka, M.J.Mcleod, R.E.Thorne. Instrumentation and Methods For Efficient Time-Resolved X-Ray Crystallography of Biomolecular Systems with Sub-10 Ms Time Resolution. Iucrj 2025.
ISSN: ESSN 2052-2525
PubMed: 40277177
DOI: 10.1107/S205225252500288X