Chlorine in PDB 9mp7: Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 Ms)

All present enzymatic activity of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 Ms):
3.2.1.17;

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 Ms), PDB code: 9mp7 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)	34.03 / 2.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.069, 78.069, 37.806, 90, 90, 90
R / Rfree (%)	19.4 / 24.5

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 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 (300 Ms) (pdb code 9mp7). 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 (300 Ms), PDB code: 9mp7:
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 (300 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 (300 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:28.0 occ:1.00 OH A:TYR41 3.0 24.4 1.0 O A:HOH332 3.3 24.7 1.0 CZ A:TYR41 3.7 24.9 1.0 CE2 A:TYR41 3.7 22.8 1.0 CA A:GLY122 4.0 26.1 1.0 O A:HOH326 4.5 33.9 1.0 O A:ARG39 4.5 36.0 1.0 N A:GLY122 4.6 29.1 1.0 CE1 A:TYR41 4.8 21.4 1.0 CD2 A:TYR41 4.9 20.4 1.0

Chlorine binding site 2 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 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 (300 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:43.0 occ:1.00 OG A:SER42 2.9 32.6 1.0 N A:GLY44 3.0 22.6 1.0 CB A:SER42 3.4 25.4 1.0 CA A:GLY44 3.4 24.8 1.0 CA A:GLN139 3.7 32.8 1.0 CD1 A:ILE142 3.9 34.2 1.0 N A:LEU43 4.0 22.7 1.0 CB A:GLN139 4.1 31.7 1.0 N A:GLN139 4.1 31.7 1.0 C A:SER42 4.2 29.2 1.0 C A:LEU43 4.2 29.1 1.0 CG1 A:ILE142 4.3 32.2 1.0 CG2 A:VAL138 4.4 27.8 1.0 CA A:SER42 4.4 25.6 1.0 O A:VAL138 4.4 34.4 1.0 C A:VAL138 4.5 33.3 1.0 C A:GLY44 4.5 24.1 1.0 CA A:LEU43 4.6 27.9 1.0 N A:ASN45 4.7 23.4 1.0 CG A:GLN139 4.7 39.0 1.0 O A:SER42 4.7 24.0 1.0 C A:GLN139 4.9 29.2 1.0

Chlorine binding site 3 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 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 (300 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:37.6 occ:1.00 O A:HOH336 2.9 22.9 1.0 N A:THR87 3.2 34.6 1.0 O A:THR87 3.4 34.4 1.0 N A:ARG86 3.4 31.7 1.0 OD1 A:ASN83 3.5 34.3 1.0 C A:GLY85 3.5 34.5 1.0 N A:GLY85 3.5 26.8 1.0 CA A:GLY85 3.6 27.7 1.0 C A:THR87 3.6 35.2 1.0 CA A:THR87 3.8 32.0 1.0 OG A:SER90 3.9 31.9 1.0 OD1 A:ASP84 4.0 26.9 1.0 O A:HOH337 4.0 33.5 1.0 C A:ARG86 4.1 34.9 1.0 CB A:THR87 4.2 29.8 1.0 O A:GLY85 4.2 35.9 1.0 CA A:ARG86 4.2 26.9 1.0 N A:PRO88 4.4 31.3 1.0 CG A:ASN83 4.6 25.9 1.0 C A:ASP84 4.6 23.9 1.0 N A:ASP84 4.7 20.3 1.0 NA A:NA206 4.7 26.1 1.0 OG1 A:THR87 4.8 22.7 1.0 CA A:PRO88 4.9 34.0 1.0

Chlorine binding site 4 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (300 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 (300 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:45.1 occ:1.00 O A:HOH358 3.2 39.6 1.0 O A:HOH321 3.3 33.9 1.0 N A:ILE106 3.6 32.2 1.0 CA A:ASP105 3.9 34.0 1.0 O A:SER104 3.9 33.0 1.0 NH2 A:ARG32 4.0 38.3 1.0 CG1 A:ILE106 4.0 27.4 1.0 OD1 A:ASP105 4.0 45.1 1.0 CZ A:PHE21 4.2 28.8 1.0 C A:ASP105 4.3 35.1 1.0 CB A:ALA29 4.3 32.6 1.0 CG2 A:ILE106 4.3 38.2 1.0 CG A:ASP105 4.3 44.9 1.0 CE1 A:HIS33 4.4 36.0 1.0 CB A:ILE106 4.5 31.8 1.0 CB A:ASP105 4.6 37.4 1.0 CA A:ILE106 4.6 28.6 1.0 CE2 A:PHE21 4.7 26.0 1.0 CD1 A:ILE106 4.7 29.6 1.0 C A:SER104 4.7 31.5 1.0 N A:ASP105 4.8 30.4 1.0 OD2 A:ASP105 4.9 53.3 1.0 O A:HOH348 5.0 34.0 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