Chlorine in PDB 1li6: T4 Lysozyme Mutant L99A/M102Q Bound By 5-Methylpyrrole

All present enzymatic activity of T4 Lysozyme Mutant L99A/M102Q Bound By 5-Methylpyrrole:
3.2.1.17;

The structure of T4 Lysozyme Mutant L99A/M102Q Bound By 5-Methylpyrrole, PDB code: 1li6 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 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.800, 60.800, 97.500, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the T4 Lysozyme Mutant L99A/M102Q Bound By 5-Methylpyrrole (pdb code 1li6). 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 5-Methylpyrrole, PDB code: 1li6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme Mutant L99A/M102Q Bound By 5-Methylpyrrole


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 5-Methylpyrrole within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl173 b:40.4 occ:1.00 O A:HOH299 3.0 42.6 1.0 N A:ARG145 3.1 10.5 1.0 N A:ASN144 3.3 6.6 1.0 C A:THR142 3.5 11.2 1.0 CB A:ASN144 3.5 16.4 1.0 O A:THR142 3.6 12.9 1.0 CA A:THR142 3.6 8.7 1.0 CB A:THR142 3.6 19.4 1.0 CA A:ASN144 3.7 11.5 1.0 CB A:ARG145 3.8 16.2 1.0 C A:ASN144 3.9 25.5 1.0 N A:PRO143 3.9 18.9 1.0 CA A:ARG145 4.0 12.8 1.0 C A:PRO143 4.2 8.7 1.0 CG2 A:THR142 4.3 9.7 1.0 CG A:ASN144 4.3 29.4 1.0 CD A:PRO143 4.4 19.8 1.0 ND2 A:ASN144 4.5 36.5 1.0 CA A:PRO143 4.6 20.8 1.0 OG1 A:THR142 4.8 17.8 1.0 O A:HOH237 4.9 44.6 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme Mutant L99A/M102Q Bound By 5-Methylpyrrole


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 5-Methylpyrrole within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl178 b:51.1 occ:1.00 NE2 A:GLN69 3.0 13.9 1.0 O A:HOH282 3.0 27.1 1.0 O A:ALA49 3.1 14.7 1.0 C A:ALA49 3.9 19.6 1.0 O A:HOH183 3.9 31.0 1.0 CD A:GLN69 3.9 45.8 1.0 CA A:ALA49 3.9 20.4 1.0 OE1 A:GLN69 4.0 18.3 1.0 O A:HOH239 4.0 31.5 1.0 CB A:ALA49 4.2 13.6 1.0 O A:HOH182 4.3 25.3 1.0 CD2 A:LEU66 4.3 19.4 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