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Chlorine in PDB 9mp5: Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 Ms)

Enzymatic activity of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 Ms)

All present enzymatic activity of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 Ms):
3.2.1.17;

Protein crystallography data

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 Ms), PDB code: 9mp5 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) 33.83 / 1.97
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.27, 78.27, 37.516, 90, 90, 90
R / Rfree (%) 19.1 / 25.7

Other elements in 9mp5:

The structure of Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 Ms) also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 Ms) (pdb code 9mp5). 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 (50 Ms), PDB code: 9mp5:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9mp5

Go back to Chlorine Binding Sites List in 9mp5
Chlorine binding site 1 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 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 (50 Ms) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:24.6
occ:1.00
OH A:TYR41 3.0 14.9 1.0
O A:HOH341 3.3 22.4 1.0
CZ A:TYR41 3.7 17.2 1.0
CE2 A:TYR41 3.7 17.6 1.0
CA A:GLY122 4.1 23.6 1.0
O A:ARG39 4.6 23.2 1.0
N A:GLY122 4.6 16.6 1.0
CE1 A:TYR41 4.9 18.1 1.0
CD2 A:TYR41 4.9 17.0 1.0

Chlorine binding site 2 out of 4 in 9mp5

Go back to Chlorine Binding Sites List in 9mp5
Chlorine binding site 2 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 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 (50 Ms) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:29.4
occ:1.00
OG A:SER42 3.0 22.0 1.0
N A:GLY44 3.1 16.6 1.0
CA A:GLY44 3.5 18.2 1.0
CB A:SER42 3.5 19.4 1.0
CA A:GLN139 3.6 28.5 1.0
CD1 A:ILE142 3.9 30.8 1.0
CB A:GLN139 3.9 29.5 1.0
N A:GLN139 4.0 26.4 1.0
N A:LEU43 4.1 22.7 1.0
CG A:GLN139 4.1 27.8 1.0
C A:LEU43 4.2 17.9 1.0
CG1 A:ILE142 4.3 26.4 1.0
C A:SER42 4.3 23.4 1.0
O A:VAL138 4.3 24.4 1.0
C A:VAL138 4.4 28.1 1.0
CG2 A:VAL138 4.5 21.4 1.0
C A:GLY44 4.5 18.5 1.0
CA A:SER42 4.5 18.6 1.0
CA A:LEU43 4.6 20.3 1.0
N A:ASN45 4.7 16.1 1.0
C A:GLN139 4.8 27.0 1.0
O A:SER42 4.8 20.2 1.0
O A:GLN139 4.9 20.9 1.0
CB A:LEU43 5.0 24.9 1.0

Chlorine binding site 3 out of 4 in 9mp5

Go back to Chlorine Binding Sites List in 9mp5
Chlorine binding site 3 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 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 (50 Ms) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:30.4
occ:1.00
O A:HOH387 3.0 31.5 1.0
O A:HOH351 3.1 22.3 1.0
N A:THR87 3.3 27.3 1.0
O A:HOH380 3.3 31.8 1.0
O A:THR87 3.4 26.1 1.0
O A:HOH318 3.4 31.1 1.0
CA A:GLY85 3.5 22.6 1.0
C A:GLY85 3.5 28.5 1.0
N A:GLY85 3.5 21.8 1.0
N A:ARG86 3.5 25.1 1.0
OD1 A:ASN83 3.6 22.3 1.0
OG A:SER90 3.7 26.7 1.0
C A:THR87 3.7 28.9 1.0
O A:HOH358 3.9 21.6 1.0
CA A:THR87 4.0 28.1 1.0
O A:GLY85 4.2 30.7 1.0
C A:ARG86 4.3 25.8 1.0
CB A:THR87 4.3 29.6 1.0
OD1 A:ASP84 4.3 22.2 1.0
CA A:ARG86 4.4 24.9 1.0
N A:PRO88 4.6 30.6 1.0
C A:ASP84 4.6 19.7 1.0
CG A:ASN83 4.7 24.1 1.0
NA A:NA206 4.8 23.7 1.0
N A:ASP84 4.8 16.8 1.0
OG1 A:THR87 4.9 20.3 1.0
CA A:PRO88 5.0 30.6 1.0
CB A:SER90 5.0 29.9 1.0

Chlorine binding site 4 out of 4 in 9mp5

Go back to Chlorine Binding Sites List in 9mp5
Chlorine binding site 4 out of 4 in the Mix & Quench Time Resolved Lysozyme - NAG1 Complex (50 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 (50 Ms) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:37.7
occ:1.00
OD2 A:ASP105 3.4 43.6 1.0
O A:HOH330 3.4 28.9 1.0
N A:ILE106 3.5 25.5 1.0
CG1 A:ILE106 3.7 28.3 1.0
CA A:ASP105 3.8 24.5 1.0
NH2 A:ARG32 3.9 34.5 1.0
CB A:ALA29 4.1 21.4 1.0
C A:ASP105 4.1 22.1 1.0
O A:SER104 4.2 27.8 1.0
CE1 A:HIS33 4.2 29.3 1.0
CZ A:PHE21 4.2 22.2 1.0
CG A:ASP105 4.3 36.1 1.0
CB A:ASP105 4.3 25.2 1.0
CG2 A:ILE106 4.4 23.8 1.0
CB A:ILE106 4.4 19.1 1.0
CA A:ILE106 4.5 23.0 1.0
CD1 A:ILE106 4.5 23.9 1.0
CE2 A:PHE21 4.8 20.9 1.0
O A:HOH367 4.8 32.2 1.0
ND1 A:HIS33 4.8 24.8 1.0
N A:ASP105 4.8 20.5 1.0
C A:SER104 5.0 23.8 1.0

Reference:

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
Page generated: Sun Jul 13 17:14:43 2025

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