Chlorine in PDB 9mpa: Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 Ms)

All present enzymatic activity of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 Ms):
3.2.1.17;

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 Ms), PDB code: 9mpa 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)	34.80 / 1.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	77.821, 77.821, 37.745, 90, 90, 90
R / Rfree (%)	18.4 / 23.9

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 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 (2000 Ms) (pdb code 9mpa). 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 (2000 Ms), PDB code: 9mpa:
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 (2000 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 (2000 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:24.2 occ:1.00 OH A:TYR41 3.0 19.4 1.0 O A:HOH329 3.4 21.7 1.0 CZ A:TYR41 3.7 17.3 1.0 CE2 A:TYR41 3.7 18.4 1.0 CA A:GLY122 4.0 20.8 1.0 O A:ARG39 4.6 26.9 1.0 N A:GLY122 4.6 21.8 1.0 CE1 A:TYR41 4.9 17.8 1.0 CD2 A:TYR41 4.9 18.2 1.0 O A:HOH315 4.9 28.1 1.0

Chlorine binding site 2 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 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 (2000 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 24.3 1.0 N A:GLY44 3.0 20.1 1.0 CA A:GLY44 3.4 19.7 1.0 CB A:SER42 3.4 25.6 1.0 CA A:GLN139 3.7 30.5 1.0 CD1 A:ILE142 3.9 30.2 1.0 N A:LEU43 4.0 21.3 1.0 N A:GLN139 4.0 24.7 1.0 CB A:GLN139 4.1 33.1 1.0 C A:SER42 4.2 25.0 1.0 O A:VAL138 4.2 25.5 1.0 C A:LEU43 4.2 20.4 1.0 CG2 A:VAL138 4.3 24.8 1.0 C A:VAL138 4.3 29.3 1.0 CG1 A:ILE142 4.3 26.4 1.0 CG A:GLN139 4.3 34.9 1.0 C A:GLY44 4.4 24.3 1.0 CA A:SER42 4.4 23.8 1.0 N A:ASN45 4.6 22.8 1.0 CA A:LEU43 4.6 22.4 1.0 O A:SER42 4.6 23.9 1.0 C A:GLN139 5.0 28.1 1.0

Chlorine binding site 3 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 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 (2000 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:31.4 occ:1.00 O A:HOH349 3.0 20.9 1.0 O A:HOH376 3.2 39.5 1.0 N A:THR87 3.2 25.4 1.0 O A:HOH370 3.4 34.2 1.0 O A:THR87 3.4 29.3 1.0 N A:ARG86 3.5 24.5 1.0 ND2 A:ASN83 3.5 19.8 1.0 C A:GLY85 3.5 29.0 1.0 CA A:GLY85 3.6 18.4 1.0 N A:GLY85 3.6 25.2 1.0 C A:THR87 3.6 26.6 1.0 CA A:THR87 3.9 26.3 1.0 OG A:SER90 4.0 26.5 1.0 O A:HOH331 4.1 25.2 1.0 OD1 A:ASP84 4.2 20.6 1.0 C A:ARG86 4.2 26.8 1.0 O A:GLY85 4.2 29.7 1.0 CB A:THR87 4.3 24.9 1.0 CA A:ARG86 4.3 24.1 1.0 N A:PRO88 4.3 28.5 1.0 C A:ASP84 4.6 20.9 1.0 CG A:ASN83 4.7 21.5 1.0 N A:ASP84 4.8 18.7 1.0 CA A:PRO88 4.8 32.7 1.0 O A:HOH335 4.8 36.3 1.0 OG1 A:THR87 4.8 22.2 1.0 NA A:NA206 4.9 20.6 1.0

Chlorine binding site 4 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (2000 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 (2000 Ms) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:37.3 occ:1.00 N A:ILE106 3.4 25.3 1.0 O A:HOH327 3.6 31.4 1.0 O A:HOH380 3.6 38.6 1.0 CG1 A:ILE106 3.7 23.1 1.0 NH2 A:ARG32 3.7 37.3 1.0 CA A:ASP105 4.0 26.4 1.0 OD1 A:ASP105 4.1 32.9 1.0 CB A:ALA29 4.1 26.7 1.0 O A:SER104 4.1 28.3 1.0 CZ A:PHE21 4.1 26.4 1.0 CE1 A:HIS33 4.1 30.7 1.0 C A:ASP105 4.2 26.6 1.0 CG2 A:ILE106 4.3 27.2 1.0 CB A:ILE106 4.3 22.3 1.0 CA A:ILE106 4.4 24.7 1.0 CG A:ASP105 4.5 35.2 1.0 CD1 A:ILE106 4.6 24.4 1.0 CE2 A:PHE21 4.7 24.0 1.0 CB A:ASP105 4.8 31.8 1.0 ND1 A:HIS33 4.9 29.9 1.0 CZ A:ARG32 4.9 37.0 1.0 N A:ASP105 4.9 23.3 1.0 C A:SER104 5.0 25.9 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