Chlorine in PDB 9mp6: Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 Ms)

All present enzymatic activity of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 Ms):
3.2.1.17;

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 Ms), PDB code: 9mp6 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)	38.89 / 2.22
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.778, 77.778, 38.175, 90, 90, 90
R / Rfree (%)	19.3 / 25.2

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 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 (150 Ms) (pdb code 9mp6). 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 (150 Ms), PDB code: 9mp6:
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 (150 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 (150 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:30.5 occ:1.00 OH A:TYR41 2.8 19.5 1.0 O A:HOH321 3.2 23.6 1.0 CZ A:TYR41 3.5 25.2 1.0 CE2 A:TYR41 3.6 25.8 1.0 CA A:GLY122 4.0 21.8 1.0 N A:GLY122 4.6 26.4 1.0 O A:ARG39 4.6 26.7 1.0 CE1 A:TYR41 4.7 21.2 1.0 O A:HOH322 4.8 32.4 1.0 CD2 A:TYR41 4.8 21.7 1.0

Chlorine binding site 2 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 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 (150 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:38.1 occ:1.00 N A:GLY44 3.0 23.2 1.0 OG A:SER42 3.0 33.0 1.0 CA A:GLY44 3.4 25.4 1.0 CB A:SER42 3.4 27.7 1.0 CD1 A:ILE142 3.6 33.4 1.0 CA A:GLN139 3.7 30.5 1.0 N A:LEU43 3.9 20.4 1.0 CB A:GLN139 4.0 34.5 1.0 C A:LEU43 4.2 21.9 1.0 N A:GLN139 4.2 30.1 1.0 C A:SER42 4.2 25.1 1.0 CG1 A:ILE142 4.2 29.0 1.0 CA A:SER42 4.5 27.6 1.0 CA A:LEU43 4.5 29.3 1.0 C A:GLY44 4.6 25.5 1.0 O A:VAL138 4.6 29.8 1.0 C A:VAL138 4.6 30.1 1.0 CG A:GLN139 4.6 36.5 1.0 CG2 A:VAL138 4.7 19.3 1.0 N A:ASN45 4.8 23.8 1.0 C A:GLN139 4.8 31.5 1.0 O A:SER42 4.8 28.5 1.0 CB A:LEU43 4.9 29.9 1.0 O A:GLN139 4.9 35.0 1.0

Chlorine binding site 3 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 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 (150 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:32.5 occ:1.00 O A:HOH324 3.0 38.2 1.0 O A:HOH327 3.0 28.3 1.0 O A:THR87 3.2 34.4 1.0 N A:THR87 3.3 28.9 1.0 OD1 A:ASN83 3.5 30.9 1.0 N A:ARG86 3.6 27.7 1.0 N A:GLY85 3.6 21.8 1.0 C A:THR87 3.6 35.2 1.0 C A:GLY85 3.6 29.0 1.0 CA A:GLY85 3.7 22.6 1.0 OG A:SER90 3.7 32.2 1.0 CA A:THR87 3.9 28.4 1.0 O A:HOH359 4.0 23.8 1.0 OD1 A:ASP84 4.1 25.8 1.0 CB A:THR87 4.2 33.8 1.0 C A:ARG86 4.3 29.2 1.0 O A:GLY85 4.3 26.3 1.0 CA A:ARG86 4.4 25.3 1.0 N A:PRO88 4.5 38.4 1.0 CG A:ASN83 4.6 32.9 1.0 N A:ASP84 4.7 19.1 1.0 C A:ASP84 4.7 18.6 1.0 NA A:NA206 4.8 32.2 1.0 OG1 A:THR87 4.8 27.8 1.0 CA A:PRO88 5.0 39.4 1.0

Chlorine binding site 4 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (150 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 (150 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:37.7 occ:1.00 N A:ILE106 3.3 28.1 1.0 OD1 A:ASP105 3.4 41.3 1.0 O A:HOH320 3.6 22.1 1.0 CG1 A:ILE106 3.7 28.4 1.0 CA A:ASP105 3.7 28.4 1.0 O A:SER104 3.9 34.4 1.0 NH2 A:ARG32 3.9 37.6 1.0 O A:HOH305 4.0 32.2 1.0 C A:ASP105 4.0 28.5 1.0 CE1 A:HIS33 4.1 29.2 1.0 CG2 A:ILE106 4.2 28.3 1.0 CB A:ILE106 4.2 29.0 1.0 CZ A:PHE21 4.3 26.5 1.0 CG A:ASP105 4.3 34.4 1.0 CA A:ILE106 4.3 20.9 1.0 CB A:ALA29 4.4 26.0 1.0 CB A:ASP105 4.5 34.8 1.0 CD1 A:ILE106 4.5 27.2 1.0 N A:ASP105 4.7 28.0 1.0 C A:SER104 4.7 29.3 1.0 O A:HOH360 4.9 25.3 1.0 NE2 A:HIS33 4.9 36.3 1.0 N A:THR107 4.9 24.4 1.0 CE2 A:PHE21 4.9 22.8 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