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Chlorine in PDB 9fue: Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac

Enzymatic activity of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac

All present enzymatic activity of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac:
3.2.1.17;

Protein crystallography data

The structure of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac, PDB code: 9fue was solved by J.Orlans, S.L.Rose, S.Basu, D.De Sanctis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.55 / 2.05
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.56, 78.56, 37.79, 90, 90, 90
R / Rfree (%) 20.7 / 26.5

Other elements in 9fue:

The structure of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac (pdb code 9fue). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac, PDB code: 9fue:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9fue

Go back to Chlorine Binding Sites List in 9fue
Chlorine binding site 1 out of 4 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:50.5
occ:1.00
 OH A:TYR41 2.9 40.4 1.0
O A:HOH322 3.5 50.3 1.0
CE2 A:TYR41 3.6 36.7 1.0
CZ A:TYR41 3.6 42.1 1.0
CA A:GLY122 4.1 38.4 1.0
O A:HOH305 4.2 45.6 1.0
O A:ARG39 4.6 47.4 1.0
N A:GLY122 4.7 35.5 1.0
CD2 A:TYR41 4.8 29.5 1.0
CE1 A:TYR41 4.8 38.8 1.0
NH1 A:ARG39 4.9 92.3 1.0

Chlorine binding site 2 out of 4 in 9fue

Go back to Chlorine Binding Sites List in 9fue
Chlorine binding site 2 out of 4 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:64.2
occ:1.00
 N A:GLY44 3.0 34.4 1.0
OG A:SER42 3.0 46.2 1.0
CA A:GLY44 3.4 38.4 1.0
CB A:SER42 3.4 39.5 1.0
CA A:GLN139 3.7 48.1 1.0
CD1 A:ILE142 3.7 53.6 1.0
N A:LEU43 3.9 40.1 1.0
CB A:GLN139 4.0 51.6 1.0
N A:GLN139 4.0 47.3 1.0
C A:LEU43 4.1 43.6 1.0
C A:SER42 4.2 46.3 1.0
O A:VAL138 4.3 42.4 1.0
CG2 A:VAL138 4.3 37.8 1.0
C A:VAL138 4.3 50.9 1.0
CG1 A:ILE142 4.4 49.1 1.0
CA A:SER42 4.5 39.7 1.0
CA A:LEU43 4.5 36.5 1.0
C A:GLY44 4.6 41.5 1.0
N A:ASN45 4.8 36.3 1.0
O A:SER42 4.8 45.0 1.0
C A:GLN139 4.9 48.9 1.0
CB A:LEU43 4.9 41.1 1.0
CB A:VAL138 5.0 38.0 1.0

Chlorine binding site 3 out of 4 in 9fue

Go back to Chlorine Binding Sites List in 9fue
Chlorine binding site 3 out of 4 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:64.0
occ:1.00
 O A:HOH313 3.0 41.8 1.0
O A:THR87 3.0 56.1 1.0
N A:THR87 3.4 43.2 1.0
C A:THR87 3.6 54.9 1.0
OD1 A:ASN83 3.6 47.9 1.0
N A:GLY85 3.8 40.0 1.0
OG A:SER90 3.8 40.8 1.0
N A:ARG86 3.9 47.0 1.0
CA A:GLY85 3.9 47.7 1.0
C A:GLY85 3.9 50.5 1.0
CA A:THR87 3.9 52.9 1.0
OD1 A:ASP84 4.1 47.5 1.0
O A:HOH331 4.1 47.0 1.0
CB A:THR87 4.3 48.7 1.0
N A:PRO88 4.4 57.2 1.0
C A:ARG86 4.4 53.2 1.0
CA A:ARG86 4.6 44.1 1.0
O A:GLY85 4.6 60.8 1.0
CG A:ASN83 4.7 50.7 1.0
NA A:NA201 4.7 51.5 1.0
CA A:PRO88 4.7 52.0 1.0
N A:ASP84 4.7 42.6 1.0
C A:ASP84 4.9 38.1 1.0
OG1 A:THR87 4.9 45.5 1.0

Chlorine binding site 4 out of 4 in 9fue

Go back to Chlorine Binding Sites List in 9fue
Chlorine binding site 4 out of 4 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - with Ligand Glcnac within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:85.3
occ:1.00
 OD1 A:ASP105 3.5 74.0 1.0
N A:ILE106 3.6 49.8 1.0
CG1 A:ILE106 3.8 53.9 1.0
CA A:ASP105 3.9 49.8 1.0
O A:SER104 3.9 44.5 1.0
CZ A:PHE21 4.3 52.9 1.0
CE1 A:HIS33 4.3 59.0 1.0
C A:ASP105 4.3 53.9 1.0
CB A:ALA29 4.3 46.2 1.0
NH2 A:ARG32 4.4 63.9 1.0
CG A:ASP105 4.4 54.0 1.0
CB A:ILE106 4.5 43.7 1.0
CD1 A:ILE106 4.5 53.0 1.0
CG2 A:ILE106 4.6 41.0 1.0
CA A:ILE106 4.6 50.1 1.0
CB A:ASP105 4.7 52.3 1.0
C A:SER104 4.8 39.1 1.0
N A:ASP105 4.8 43.6 1.0
CE2 A:PHE21 4.9 47.1 1.0

Reference:

J.Orlans, S.L.Rose, G.Ferguson, M.Oscarsson, A.Homs Puron, A.Beteva, S.Debionne, P.Theveneau, N.Coquelle, J.Kieffer, P.Busca, J.Sinoir, V.Armijo, M.Lopez Marrero, F.Felisaz, G.Papp, H.Gonzalez, H.Caserotto, F.Dobias, J.Gigmes, G.Lebon, S.Basu, D.De Sanctis. Advancing Macromolecular Structure Determination with Microsecond X-Ray Pulses at A 4TH Generation Synchrotron. Commun Chem V. 8 6 2025.
ISSN: ESSN 2399-3669
PubMed: 39775172
DOI: 10.1038/S42004-024-01404-Y
Page generated: Sat Feb 8 17:32:01 2025

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