Atomistry » Chlorine » PDB 4myq-4n98 » 4n8z
Atomistry »
  Chlorine »
    PDB 4myq-4n98 »
      4n8z »

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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy