Chlorine in PDB 9mp9: Mix & Quench Time Resolved Lysozyme - NAG1 Complex (1000 Ms)

All present enzymatic activity of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (1000 Ms):
3.2.1.17;

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (1000 Ms), PDB code: 9mp9 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)	38.94 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.889, 77.889, 37.769, 90, 90, 90
R / Rfree (%)	17.8 / 22

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (1000 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 (1000 Ms) (pdb code 9mp9). 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 (1000 Ms), PDB code: 9mp9:
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 (1000 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 (1000 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:25.5 occ:1.00 OH A:TYR41 2.9 20.5 1.0 O A:HOH340 3.1 35.2 1.0 O A:HOH346 3.3 25.4 1.0 CZ A:TYR41 3.6 20.4 1.0 CE2 A:TYR41 3.6 19.7 1.0 CA A:GLY122 4.1 22.9 1.0 O A:ARG39 4.6 28.5 1.0 N A:GLY122 4.7 25.9 1.0 CE1 A:TYR41 4.8 21.6 1.0 CD2 A:TYR41 4.8 19.0 1.0

Chlorine binding site 2 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (1000 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 (1000 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:32.3 occ:1.00 OG A:SER42 2.9 25.1 1.0 N A:GLY44 3.1 21.3 1.0 CB A:SER42 3.4 27.9 1.0 CA A:GLY44 3.5 21.7 1.0 CA A:GLN139 3.7 31.2 1.0 CD1 A:ILE142 3.9 39.2 1.0 N A:GLN139 4.1 29.0 1.0 N A:LEU43 4.1 23.2 1.0 CB A:GLN139 4.1 31.5 1.0 CG A:GLN139 4.2 38.1 1.0 C A:SER42 4.2 27.1 1.0 C A:LEU43 4.3 22.0 1.0 CG2 A:VAL138 4.3 29.7 1.0 CG1 A:ILE142 4.3 32.1 1.0 C A:VAL138 4.5 28.8 1.0 CA A:SER42 4.5 23.2 1.0 C A:GLY44 4.5 24.2 1.0 O A:VAL138 4.5 28.2 1.0 N A:ASN45 4.7 22.9 1.0 CA A:LEU43 4.7 25.0 1.0 O A:SER42 4.7 23.2 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 (1000 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 (1000 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:31.9 occ:1.00 O A:HOH354 3.1 24.5 1.0 O A:HOH382 3.1 39.6 1.0 N A:THR87 3.2 28.2 1.0 O A:THR87 3.4 30.1 1.0 N A:ARG86 3.5 29.1 1.0 OD1 A:ASN83 3.5 27.6 1.0 C A:GLY85 3.6 33.2 1.0 CA A:GLY85 3.6 23.5 1.0 N A:GLY85 3.7 24.3 1.0 C A:THR87 3.7 30.9 1.0 CA A:THR87 3.9 29.1 1.0 O A:HOH348 3.9 26.3 1.0 OG A:SER90 3.9 30.3 1.0 C A:ARG86 4.2 27.4 1.0 CB A:THR87 4.2 31.7 1.0 CA A:ARG86 4.3 25.9 1.0 OD1 A:ASP84 4.3 23.6 1.0 O A:GLY85 4.3 30.9 1.0 N A:PRO88 4.5 32.0 1.0 CG A:ASN83 4.7 28.0 1.0 C A:ASP84 4.8 24.5 1.0 OG1 A:THR87 4.8 25.0 1.0 N A:ASP84 4.8 23.4 1.0 NA A:NA206 4.9 23.1 1.0 O A:HOH331 4.9 35.4 1.0 CA A:PRO88 5.0 32.9 1.0

Chlorine binding site 4 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (1000 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 (1000 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:34.7 occ:1.00 O A:HOH316 2.3 44.6 1.0 O A:HOH380 3.0 41.0 1.0 O A:HOH315 3.2 30.9 1.0 NH2 A:ARG32 3.6 40.4 1.0 N A:ILE106 3.6 24.7 1.0 CG1 A:ILE106 3.9 28.1 1.0 CA A:ASP105 4.0 26.0 1.0 CB A:ALA29 4.0 28.7 1.0 O A:SER104 4.1 30.1 1.0 CZ A:PHE21 4.1 30.7 1.0 OD1 A:ASP105 4.2 33.7 1.0 C A:ASP105 4.3 26.5 1.0 CE1 A:HIS33 4.5 34.9 1.0 CG2 A:ILE106 4.5 29.1 1.0 CB A:ILE106 4.5 23.6 1.0 CA A:ILE106 4.6 26.2 1.0 CD1 A:ILE106 4.6 27.3 1.0 CE2 A:PHE21 4.6 27.4 1.0 CG A:ASP105 4.8 37.3 1.0 CB A:ASP105 4.8 31.9 1.0 CZ A:ARG32 4.9 40.8 1.0 C A:SER104 4.9 27.2 1.0 N A:ASP105 4.9 26.6 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