Chlorine in PDB 1lgw: T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline

All present enzymatic activity of T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline:
3.2.1.17;

The structure of T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline, PDB code: 1lgw was solved by B.Q.Wei, W.A.Baase, L.H.Weaver, B.W.Matthews, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.800, 60.800, 97.740, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline (pdb code 1lgw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline, PDB code: 1lgw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:34.2 occ:1.00 N A:ARG145 3.1 7.2 1.0 N A:ASN144 3.4 4.7 1.0 O A:HOH323 3.4 33.1 1.0 CB A:ASN144 3.5 7.6 1.0 C A:THR142 3.6 16.7 1.0 CB A:THR142 3.6 12.2 1.0 CA A:THR142 3.7 8.7 1.0 O A:THR142 3.7 12.3 1.0 CB A:ARG145 3.8 19.9 1.0 CA A:ASN144 3.8 8.9 1.0 C A:ASN144 3.9 17.6 1.0 CA A:ARG145 4.0 10.7 1.0 N A:PRO143 4.1 14.8 1.0 CG A:ASN144 4.3 57.6 1.0 C A:PRO143 4.3 4.1 1.0 CG2 A:THR142 4.4 10.0 1.0 ND2 A:ASN144 4.5 36.2 1.0 CD A:PRO143 4.5 7.9 1.0 CA A:PRO143 4.8 12.8 1.0 OG1 A:THR142 4.8 15.4 1.0 O A:HOH207 4.9 31.8 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme Mutant L99A/M102Q Bound By 2-Fluoroaniline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:44.7 occ:1.00 O A:ALA49 2.9 9.6 1.0 NE2 A:GLN69 3.1 15.2 1.0 O A:HOH282 3.1 22.1 1.0 C A:ALA49 3.7 13.5 1.0 CA A:ALA49 3.8 20.7 1.0 O A:HOH183 3.8 25.0 1.0 O A:HOH239 3.9 30.0 1.0 CB A:ALA49 4.0 14.6 1.0 CD A:GLN69 4.1 19.1 1.0 CD2 A:LEU66 4.1 11.4 1.0 OE1 A:GLN69 4.1 17.0 1.0 O A:HOH182 4.6 26.1 1.0 N A:ILE50 5.0 15.7 1.0

B.Q.Wei, W.A.Baase, L.H.Weaver, B.W.Matthews, B.K.Shoichet. A Model Binding Site For Testing Scoring Functions in Molecular Docking J.Mol.Biol. V. 322 339 2002.
ISSN: ISSN 0022-2836
PubMed: 12217695
DOI: 10.1016/S0022-2836(02)00777-5