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Chlorine in PDB 4n8z: In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand

Enzymatic activity of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand

All present enzymatic activity of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand:
3.2.1.17;

Protein crystallography data

The structure of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand, PDB code: 4n8z was solved by X.Yin, A.Scalia, L.Leroy, C.M.Cuttitta, G.M.Polizzo, D.L.Ericson, C.G.Roessler, O.Campos, R.Agarwal, M.Allaire, A.M.Orville, R.Jackimowicz, M.Y.Ma, R.M.Sweet, A.S.Soares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.76 / 1.20
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.150, 79.150, 36.280, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 25.1

Other elements in 4n8z:

The structure of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand (pdb code 4n8z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand, PDB code: 4n8z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4n8z

Go back to Chlorine Binding Sites List in 4n8z
Chlorine binding site 1 out of 5 in the In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:42.3
occ:1.00
 O A:HOH503 2.2 20.5 0.5
O A:HOH351 2.6 28.0 1.0
O A:HOH346 3.0 30.5 1.0
N A:ILE88 3.1 16.1 1.0
CG1 A:ILE88 3.5 15.7 1.0
O A:SER86 3.5 22.1 1.0
CA A:ASP87 3.6 17.8 1.0
CZ A:PHE3 3.7 18.1 1.0
CG2 A:ILE88 3.8 16.5 1.0
C A:ASP87 3.9 14.8 1.0
CB A:ILE88 4.0 15.6 1.0
CA A:ILE88 4.1 15.5 1.0
OD1 A:ASP87 4.3 22.6 1.0
CE2 A:PHE3 4.3 16.4 1.0
CD1 A:ILE88 4.4 16.6 1.0
C A:SER86 4.4 17.7 1.0
CB A:ALA11 4.4 14.6 1.0
NE2 A:HIS15 4.5 18.1 1.0
N A:ASP87 4.5 16.2 1.0
CB A:ASP87 4.6 20.9 1.0
CE1 A:PHE3 4.8 17.5 1.0
CG A:ASP87 4.8 25.6 1.0
CD2 A:HIS15 5.0 18.1 1.0

Chlorine binding site 2 out of 5 in 4n8z

Go back to Chlorine Binding Sites List in 4n8z
Chlorine binding site 2 out of 5 in the In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:18.6
occ:1.00
 OH A:TYR23 3.0 14.3 1.0
O A:HOH334 3.2 21.7 1.0
O A:HOH490 3.6 39.8 1.0
CZ A:TYR23 3.7 13.6 1.0
CE2 A:TYR23 3.7 15.0 1.0
CA A:GLY104 4.0 14.8 1.0
N A:GLY104 4.6 15.4 1.0
O A:ARG21 4.7 18.3 1.0
CE1 A:TYR23 4.8 13.7 1.0
O A:HOH333 4.9 21.5 1.0
CD2 A:TYR23 4.9 12.9 1.0

Chlorine binding site 3 out of 5 in 4n8z

Go back to Chlorine Binding Sites List in 4n8z
Chlorine binding site 3 out of 5 in the In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:23.2
occ:1.00
 O A:HOH495 3.0 49.0 1.0
OG A:SER24 3.1 18.5 1.0
N A:GLY26 3.1 13.0 1.0
CB A:SER24 3.5 15.9 1.0
CA A:GLN121 3.6 20.0 1.0
CA A:GLY26 3.6 13.7 1.0
CB A:GLN121 3.8 26.2 1.0
N A:GLN121 3.9 18.9 1.0
N A:LEU25 3.9 13.8 1.0
CD1 A:ILE124 4.0 22.6 1.0
C A:SER24 4.1 14.4 1.0
C A:VAL120 4.2 18.7 1.0
CG2 A:VAL120 4.2 17.8 1.0
C A:LEU25 4.2 13.0 1.0
O A:VAL120 4.2 17.6 1.0
CG1 A:ILE124 4.4 20.8 1.0
CG A:GLN121 4.4 36.2 1.0
O A:HOH400 4.4 33.9 1.0
CA A:SER24 4.4 14.4 1.0
CA A:LEU25 4.5 12.9 1.0
O A:SER24 4.5 13.8 1.0
C A:GLY26 4.6 14.2 1.0
N A:ASN27 4.7 12.2 1.0
CB A:LEU25 4.8 13.6 1.0
C A:GLN121 4.9 19.7 1.0
CB A:VAL120 4.9 16.2 1.0

Chlorine binding site 4 out of 5 in 4n8z

Go back to Chlorine Binding Sites List in 4n8z
Chlorine binding site 4 out of 5 in the In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:31.8
occ:1.00
 O A:HOH407 2.9 27.6 1.0
O A:HOH418 2.9 33.7 1.0
O A:HOH430 3.3 33.9 1.0
CE2 A:PHE38 3.6 15.8 1.0
CE A:LYS33 3.8 20.9 1.0
NZ A:LYS33 3.9 23.6 1.0
CB A:ARG5 3.9 16.8 1.0
O A:HOH356 4.0 24.2 1.0
CD A:ARG5 4.0 16.7 1.0
CZ A:PHE38 4.1 14.9 1.0
CD A:LYS33 4.1 17.9 1.0
CZ3 A:TRP123 4.3 18.8 1.0
CG A:ARG5 4.4 15.3 1.0
NE A:ARG5 4.5 21.4 1.0
CD2 A:PHE38 4.6 15.3 1.0
CG A:LYS33 4.8 16.9 1.0
O A:HOH364 4.8 33.1 1.0
O A:HOH377 4.9 36.2 1.0
CA A:ARG5 5.0 15.2 1.0

Chlorine binding site 5 out of 5 in 4n8z

Go back to Chlorine Binding Sites List in 4n8z
Chlorine binding site 5 out of 5 in the In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of In Situ Lysozyme Crystallized on A Mitegen Micromesh with Benzamidine Ligand within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:22.4
occ:1.00
 O A:HOH311 3.1 15.4 1.0
O A:THR69 3.3 20.4 1.0
O A:HOH426 3.3 37.0 1.0
O A:HOH413 3.3 30.7 1.0
O A:HOH478 3.3 43.1 1.0
N A:THR69 3.4 18.0 1.0
N A:GLY67 3.5 17.0 1.0
CA A:GLY67 3.6 18.1 1.0
C A:GLY67 3.6 19.0 1.0
N A:ARG68 3.6 17.6 1.0
OD1 A:ASN65 3.6 18.9 1.0
C A:THR69 3.7 18.8 1.0
OG A:SER72 3.7 19.6 1.0
O A:HOH336 3.9 21.7 1.0
CA A:THR69 4.0 17.1 1.0
OD1 A:ASP66 4.3 15.3 1.0
CB A:THR69 4.3 17.7 1.0
C A:ARG68 4.3 18.9 1.0
O A:GLY67 4.4 22.4 1.0
CA A:ARG68 4.4 17.5 1.0
N A:PRO70 4.5 21.7 1.0
C A:ASP66 4.7 16.3 1.0
CA A:PRO70 4.7 22.5 1.0
O A:HOH518 4.7 32.7 0.5
NA A:NA201 4.7 17.2 1.0
N A:ASP66 4.7 14.5 1.0
CG A:ASN65 4.8 18.2 1.0
OG1 A:THR69 4.9 15.6 1.0
CB A:SER72 5.0 19.8 1.0

Reference:

X.Yin, A.Scalia, L.Leroy, C.M.Cuttitta, G.M.Polizzo, D.L.Ericson, C.G.Roessler, O.Campos, M.Y.Ma, R.Agarwal, R.Jackimowicz, M.Allaire, A.M.Orville, R.M.Sweet, A.S.Soares. Hitting the Target: Fragment Screening with Acoustic in Situ Co-Crystallization of Proteins Plus Fragment Libraries on Pin-Mounted Data-Collection Micromeshes. Acta Crystallogr.,Sect.D V. 70 1177 2014.
ISSN: ISSN 0907-4449
PubMed: 24816088
DOI: 10.1107/S1399004713034603
Page generated: Sun Jul 21 20:30:59 2024

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