Chlorine in PDB 9mp8: Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 Ms)

All present enzymatic activity of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 Ms):
3.2.1.17;

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 Ms), PDB code: 9mp8 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)	34.29 / 1.83
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.829, 77.829, 38.197, 90, 90, 90
R / Rfree (%)	17.5 / 20.8

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 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 (750 Ms) (pdb code 9mp8). 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 (750 Ms), PDB code: 9mp8:
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 (750 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 (750 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:26.5 occ:1.00 O A:HOH369 3.0 31.2 1.0 OH A:TYR41 3.0 16.4 1.0 CZ A:TYR41 3.7 19.0 1.0 CE2 A:TYR41 3.7 20.2 1.0 CA A:GLY122 4.1 19.3 1.0 O A:ARG39 4.6 25.1 1.0 N A:GLY122 4.7 21.3 1.0 CE1 A:TYR41 4.9 18.6 1.0 O A:HOH310 4.9 30.4 1.0 CD2 A:TYR41 4.9 18.0 1.0

Chlorine binding site 2 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 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 (750 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:29.9 occ:1.00 OG A:SER42 2.9 25.1 1.0 N A:GLY44 3.1 19.3 1.0 CB A:SER42 3.4 24.1 1.0 CA A:GLY44 3.5 21.2 1.0 CD1 A:ILE142 3.7 35.6 1.0 CA A:GLN139 3.7 27.3 1.0 CB A:GLN139 4.0 31.2 1.0 N A:LEU43 4.1 19.4 1.0 N A:GLN139 4.1 25.5 1.0 CG A:GLN139 4.2 34.5 1.0 C A:LEU43 4.3 19.4 1.0 C A:SER42 4.3 20.6 1.0 CG1 A:ILE142 4.3 30.7 1.0 O A:VAL138 4.5 25.8 1.0 CA A:SER42 4.5 20.0 1.0 C A:VAL138 4.5 29.5 1.0 C A:GLY44 4.5 20.1 1.0 CG2 A:VAL138 4.5 22.8 1.0 N A:ASN45 4.6 18.9 1.0 CA A:LEU43 4.6 17.1 1.0 O A:SER42 4.7 22.5 1.0 C A:GLN139 5.0 28.6 1.0 CB A:LEU43 5.0 22.8 1.0

Chlorine binding site 3 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 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 (750 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:33.0 occ:1.00 O A:HOH352 3.1 21.8 1.0 N A:THR87 3.2 28.1 1.0 O A:HOH327 3.4 42.7 1.0 O A:THR87 3.5 28.3 1.0 N A:ARG86 3.5 26.4 1.0 OD1 A:ASN83 3.5 28.6 1.0 N A:GLY85 3.6 23.1 1.0 C A:GLY85 3.6 27.4 1.0 CA A:GLY85 3.6 25.8 1.0 C A:THR87 3.6 29.6 1.0 CA A:THR87 3.9 28.2 1.0 O A:HOH350 4.0 22.7 1.0 OG A:SER90 4.0 28.1 1.0 OD1 A:ASP84 4.2 23.9 1.0 C A:ARG86 4.2 30.9 1.0 N A:PRO88 4.2 30.5 1.0 CB A:THR87 4.2 25.8 1.0 O A:GLY85 4.3 29.6 1.0 CA A:ARG86 4.3 29.3 1.0 CA A:PRO88 4.6 29.3 1.0 C A:ASP84 4.7 24.4 1.0 CG A:ASN83 4.7 29.6 1.0 O A:HOH308 4.7 38.8 1.0 N A:ASP84 4.8 21.5 1.0 OG1 A:THR87 4.8 23.6 1.0 NA A:NA206 4.9 21.3 1.0

Chlorine binding site 4 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (750 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 (750 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:38.8 occ:1.00 N A:ILE106 3.5 24.6 1.0 NH2 A:ARG32 3.7 36.7 1.0 CG1 A:ILE106 3.7 22.2 1.0 CA A:ASP105 3.9 27.4 1.0 OD1 A:ASP105 4.0 38.0 1.0 O A:SER104 4.1 30.4 1.0 CB A:ALA29 4.1 26.1 1.0 CZ A:PHE21 4.1 27.0 1.0 C A:ASP105 4.2 26.1 1.0 CE1 A:HIS33 4.2 32.2 1.0 CG2 A:ILE106 4.3 25.3 1.0 CB A:ILE106 4.4 20.9 1.0 CG A:ASP105 4.5 37.2 1.0 CA A:ILE106 4.5 22.6 1.0 CD1 A:ILE106 4.5 25.0 1.0 CE2 A:PHE21 4.7 25.6 1.0 CB A:ASP105 4.7 32.9 1.0 O A:HOH381 4.9 36.1 1.0 CZ A:ARG32 4.9 42.1 1.0 N A:ASP105 4.9 27.6 1.0 C A:SER104 4.9 28.6 1.0 ND1 A:HIS33 4.9 30.6 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