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Chlorine in PDB 9fud: Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo)

Enzymatic activity of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo)

All present enzymatic activity of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo):
3.2.1.17;

Protein crystallography data

The structure of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo), PDB code: 9fud 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) 55.65 / 2.05
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.7, 78.7, 37.86, 90, 90, 90
R / Rfree (%) 21.6 / 25.2

Other elements in 9fud:

The structure of Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo) 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 - Without Ligand Glcnac (Apo) (pdb code 9fud). 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 - Without Ligand Glcnac (Apo), PDB code: 9fud:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9fud

Go back to Chlorine Binding Sites List in 9fud
Chlorine binding site 1 out of 4 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo)


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 - Without Ligand Glcnac (Apo) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:46.8
occ:1.00
 OH A:TYR23 2.9 44.8 1.0
CZ A:TYR23 3.6 43.9 1.0
O A:HOH325 3.6 45.6 1.0
CE2 A:TYR23 3.6 44.6 1.0
CA A:GLY104 4.0 46.1 1.0
O A:HOH321 4.4 47.9 1.0
O A:ARG21 4.5 47.0 1.0
N A:GLY104 4.6 46.1 1.0
CE1 A:TYR23 4.8 43.6 1.0
CD2 A:TYR23 4.8 44.0 1.0

Chlorine binding site 2 out of 4 in 9fud

Go back to Chlorine Binding Sites List in 9fud
Chlorine binding site 2 out of 4 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo)


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 - Without Ligand Glcnac (Apo) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:61.2
occ:1.00
 N A:GLY26 2.8 45.5 1.0
OG A:SER24 3.2 45.7 1.0
CA A:GLY26 3.3 46.1 1.0
CD1 A:ILE124 3.4 55.0 1.0
CB A:SER24 3.6 45.0 1.0
CA A:GLN121 3.7 52.5 1.0
N A:LEU25 3.8 46.9 1.0
C A:LEU25 3.9 45.9 1.0
CG1 A:ILE124 4.1 53.5 1.0
N A:GLN121 4.1 51.6 1.0
CB A:GLN121 4.2 51.9 1.0
C A:SER24 4.2 46.1 1.0
O A:VAL120 4.2 50.5 1.0
CA A:LEU25 4.3 46.2 1.0
C A:VAL120 4.4 50.4 1.0
CA A:SER24 4.5 46.3 1.0
C A:GLY26 4.6 44.5 1.0
CG2 A:VAL120 4.6 47.4 1.0
CB A:LEU25 4.6 47.7 1.0
CG2 A:ILE124 4.7 51.0 1.0
O A:SER24 4.8 46.2 1.0
C A:GLN121 4.8 52.8 1.0
N A:ASN27 4.8 43.8 1.0
O A:GLN121 4.9 52.1 1.0

Chlorine binding site 3 out of 4 in 9fud

Go back to Chlorine Binding Sites List in 9fud
Chlorine binding site 3 out of 4 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo)


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 - Without Ligand Glcnac (Apo) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:54.6
occ:1.00
 O A:HOH320 3.0 49.2 1.0
O A:THR69 3.2 52.9 1.0
N A:THR69 3.4 51.4 1.0
OD1 A:ASN65 3.4 49.1 1.0
C A:THR69 3.6 52.2 1.0
N A:GLY67 3.7 49.4 1.0
CA A:GLY67 3.7 49.3 1.0
N A:ARG68 3.8 50.8 1.0
O A:HOH329 3.8 50.3 1.0
C A:GLY67 3.8 50.0 1.0
OG A:SER72 3.9 51.3 1.0
CA A:THR69 4.0 51.5 1.0
OD1 A:ASP66 4.1 48.8 1.0
CB A:THR69 4.3 51.0 1.0
N A:PRO70 4.4 52.7 1.0
C A:ARG68 4.4 51.1 1.0
O A:GLY67 4.6 51.9 1.0
CA A:ARG68 4.6 50.7 0.4
CA A:ARG68 4.6 50.7 0.6
CG A:ASN65 4.6 49.1 1.0
N A:ASP66 4.7 47.7 1.0
C A:ASP66 4.8 48.6 1.0
CA A:PRO70 4.8 53.2 1.0
NA A:NA201 4.9 49.9 1.0
OG1 A:THR69 5.0 50.0 1.0

Chlorine binding site 4 out of 4 in 9fud

Go back to Chlorine Binding Sites List in 9fud
Chlorine binding site 4 out of 4 in the Serial Microseconds Crystallography at ID29 Using Fixed-Target (Si Chip): Lysozyme - Without Ligand Glcnac (Apo)


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 - Without Ligand Glcnac (Apo) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:65.9
occ:1.00
 OD1 A:ASP87 3.5 54.0 1.0
N A:ILE88 3.6 49.5 1.0
CG1 A:ILE88 3.8 49.4 1.0
CA A:ASP87 3.8 51.3 1.0
O A:SER86 3.8 51.6 1.0
C A:ASP87 4.3 50.7 1.0
NH2 A:ARG14 4.3 61.0 1.0
CE1 A:HIS15 4.3 53.3 1.0
CG A:ASP87 4.3 52.2 1.0
CZ A:PHE3 4.4 50.1 1.0
CB A:ASP87 4.6 51.8 1.0
CB A:ALA11 4.6 48.1 1.0
CB A:ILE88 4.6 48.7 1.0
CA A:ILE88 4.7 49.3 1.0
C A:SER86 4.7 51.5 1.0
N A:ASP87 4.7 51.4 1.0
CG2 A:ILE88 4.8 49.4 1.0
CD1 A:ILE88 4.8 48.9 1.0
CE2 A:PHE3 4.9 49.9 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 17:31:55 2025

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