Chlorine in PDB 5l77: A Glycoside Hydrolase Mutant with An Unreacted Activity Based Probe Bound

The structure of A Glycoside Hydrolase Mutant with An Unreacted Activity Based Probe Bound, PDB code: 5l77 was solved by Y.Jin, L.Wu, J.B.Jiang, H.S.Overkleeft, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.88 / 1.24
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	150.170, 45.120, 82.040, 90.00, 115.11, 90.00
R / Rfree (%)	12.9 / 16

The binding sites of Chlorine atom in the A Glycoside Hydrolase Mutant with An Unreacted Activity Based Probe Bound (pdb code 5l77). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the A Glycoside Hydrolase Mutant with An Unreacted Activity Based Probe Bound, PDB code: 5l77:

Chlorine binding site 1 out of 1 in the A Glycoside Hydrolase Mutant with An Unreacted Activity Based Probe Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A Glycoside Hydrolase Mutant with An Unreacted Activity Based Probe Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:65.9 occ:1.00 NE2 A:HIS33 3.2 25.9 1.0 NZ A:LYS273 3.3 30.3 0.5 CE A:LYS273 3.4 28.3 1.0 CE1 A:HIS33 4.1 26.5 1.0 CD2 A:HIS33 4.1 22.6 1.0 O A:HOH1023 4.3 34.2 1.0 O A:ALA319 4.5 22.0 1.0 CD A:LYS273 4.9 24.3 1.0 C A:ALA319 5.0 17.2 1.0

L.Wu, J.Jiang, Y.Jin, W.W.Kallemeijn, C.L.Kuo, M.Artola, W.Dai, C.Van Elk, M.Van Eijk, G.A.Van Der Marel, J.D.C.Codee, B.I.Florea, J.M.F.G.Aerts, H.S.Overkleeft, G.J.Davies. Activity-Based Probes For Functional Interrogation of Retaining Beta-Glucuronidases. Nat. Chem. Biol. V. 13 867 2017.
ISSN: ESSN 1552-4469
PubMed: 28581485
DOI: 10.1038/NCHEMBIO.2395