Calcium in PDB 5g2v: Structure of BT4656 in Complex with Its Substrate D-Glucosamine-2-N, 6-O-Disulfate.

All present enzymatic activity of Structure of BT4656 in Complex with Its Substrate D-Glucosamine-2-N, 6-O-Disulfate.:
3.1.6.14;

The structure of Structure of BT4656 in Complex with Its Substrate D-Glucosamine-2-N, 6-O-Disulfate., PDB code: 5g2v was solved by A.Cartmell, E.C.Lowe, A.Basle, L.I.Crouch, M.Czjzek, J.Turnbull, B.Henrissat, N.Terrapon, S.Thomas, H.Murray, S.J.Firbank, D.N.Bolam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.65 / 1.39
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.218, 74.550, 95.005, 90.00, 90.00, 90.00
R / Rfree (%)	10.8 / 13

The binding sites of Calcium atom in the Structure of BT4656 in Complex with Its Substrate D-Glucosamine-2-N, 6-O-Disulfate. (pdb code 5g2v). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of BT4656 in Complex with Its Substrate D-Glucosamine-2-N, 6-O-Disulfate., PDB code: 5g2v:

Calcium binding site 1 out of 1 in the Structure of BT4656 in Complex with Its Substrate D-Glucosamine-2-N, 6-O-Disulfate.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of BT4656 in Complex with Its Substrate D-Glucosamine-2-N, 6-O-Disulfate. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1521 b:4.7 occ:0.50 OD1 A:ASP37 2.3 7.4 1.0 OD1 A:ASP38 2.3 6.3 1.0 OD2 A:ASP349 2.4 6.0 1.0 O5S A:SGN1522 2.4 5.1 1.0 OE1 A:GLN350 2.5 5.8 1.0 OD1 A:ASP349 2.7 5.2 1.0 CG A:ASP349 2.9 5.2 1.0 CG A:ASP38 3.1 6.1 1.0 CD A:GLN350 3.3 5.1 1.0 CG A:ASP37 3.4 6.3 1.0 NE2 A:GLN350 3.5 5.4 1.0 N A:ASP38 3.6 4.6 1.0 OD2 A:ASP38 3.7 8.5 1.0 S2 A:SGN1522 3.8 4.9 1.0 CB A:SER77 3.8 5.2 1.0 C A:ASP37 4.0 5.1 1.0 CA A:ASP37 4.0 5.3 1.0 CB A:ASP38 4.2 5.5 1.0 NZ A:LYS362 4.2 4.8 1.0 CE A:LYS362 4.2 4.7 1.0 CA A:ASP38 4.2 5.0 1.0 O6S A:SGN1522 4.2 5.0 1.0 CB A:ASP37 4.3 5.4 1.0 OD2 A:ASP37 4.3 6.7 1.0 CA A:SER77 4.3 5.0 1.0 CB A:ASP349 4.3 5.3 1.0 ND1 A:HIS199 4.4 6.9 1.0 N A:SER77 4.4 4.7 1.0 OG A:SER77 4.5 5.7 1.0 O4S A:SGN1522 4.6 5.1 1.0 CG A:GLN350 4.7 5.6 1.0 NZ A:LYS125 4.7 6.1 1.0 O6 A:SGN1522 4.8 5.0 1.0 CD A:LYS362 4.8 4.3 1.0 O A:ASP37 4.8 5.4 1.0 NH2 A:ARG81 4.9 6.0 1.0

A.Cartmell, E.C.Lowe, A.Basle, S.J.Firbank, D.A.Ndeh, H.Murray, N.Terrapon, V.Lombard, B.Henrissat, J.E.Turnbull, M.Czjzek, H.J.Gilbert, D.N.Bolam. How Members of the Human Gut Microbiota Overcome the Sulfation Problem Posed By Glycosaminoglycans. Proc. Natl. Acad. Sci. V. 114 7037 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28630303
DOI: 10.1073/PNAS.1704367114