Calcium in PDB 4r36: Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343

All present enzymatic activity of Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343:
2.3.1.129;

The structure of Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343, PDB code: 4r36 was solved by A.Ngo, K.Fong, D.Cox, A.Fisher, X.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.90
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	149.051, 149.051, 149.051, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 19.2

The binding sites of Calcium atom in the Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343 (pdb code 4r36). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343, PDB code: 4r36:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:17.4 occ:0.33 OD1 A:ASN89 2.3 16.2 1.0 O A:HOH1122 2.4 21.2 1.0 O A:HOH1336 2.8 51.9 0.3 CG A:ASN89 3.3 17.4 1.0 ND2 A:ASN89 3.7 16.4 1.0 CA A:GLY59 4.2 17.3 1.0 O A:GLY59 4.4 18.2 1.0 O A:HOH1271 4.5 39.2 1.0 CB A:ASN89 4.6 15.9 1.0 C A:GLY59 4.8 17.1 1.0

Calcium binding site 2 out of 3 in the Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1004 b:34.2 occ:1.00 O B:HOH1218 2.2 38.5 1.0 O B:HOH1223 2.3 39.2 1.0 O B:HOH1136 2.4 29.0 1.0 O A:HOH1188 2.4 31.0 1.0 O B:HOH1189 2.5 35.6 1.0 O A:HOH1182 2.6 30.2 1.0 O A:HOH1255 2.6 37.9 1.0 O B:HOH1212 4.3 38.2 1.0 OD2 B:ASP244 4.3 27.2 1.0 O A:HOH1268 4.4 38.9 1.0 OD1 A:ASN106 4.4 18.9 1.0 O B:HOH1155 4.4 31.0 1.0 O A:HOH1107 4.4 17.4 1.0 ND2 A:ASN106 4.5 19.2 1.0 OD1 B:ASP244 4.6 27.2 1.0 OE1 B:GLU240 4.7 38.6 1.0 O B:HOH1207 4.7 37.1 1.0 O A:HOH1178 4.8 29.6 1.0 CG A:ASN106 4.9 17.9 1.0 CG B:ASP244 4.9 29.2 1.0

Calcium binding site 3 out of 3 in the Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure Analysis of Lpxa, A Udp-N-Acetylglucosamine Acyltransferase From Bacteroides Fragilis 9343 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1005 b:23.1 occ:0.33 O B:HOH1124 2.3 25.8 1.0 OD1 B:ASN89 2.4 19.9 1.0 CG B:ASN89 3.3 22.5 1.0 ND2 B:ASN89 3.7 24.1 1.0 CA B:GLY59 4.2 26.3 1.0 O B:GLY59 4.3 21.8 1.0 O B:HOH1219 4.5 38.7 1.0 CB B:ASN89 4.7 24.6 1.0 C B:GLY59 4.8 25.9 1.0

A.Ngo, K.T.Fong, D.L.Cox, X.Chen, A.J.Fisher. Structures of Bacteroides Fragilis Uridine 5'-Diphosphate-N-Acetylglucosamine (Udp-Glcnac) Acyltransferase (Bflpxa). Acta Crystallogr.,Sect.D V. 71 1068 2015.
ISSN: ISSN 0907-4449
PubMed: 25945572
DOI: 10.1107/S1399004715003326