Sodium in PDB 4a44: CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen

All present enzymatic activity of CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen:
3.2.1.50;

The structure of CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen, PDB code: 4a44 was solved by E.Ficko-Blean, C.P.Stuart, M.D.Suits, M.Cid, M.Tessier, R.J.Woods, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.50 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.800, 59.260, 67.430, 90.00, 90.00, 90.00
R / Rfree (%)	18.758 / 22.249

The structure of CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Sodium atom in the CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen (pdb code 4a44). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen, PDB code: 4a44:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2496 b:3.9 occ:1.00 NE2 A:HIS1471 2.1 16.5 1.0 OE1 A:GLU1408 2.2 26.2 1.0 O A:HOH2120 2.7 33.5 1.0 CE1 A:HIS1471 3.0 13.7 1.0 O A:HOH2223 3.0 47.0 1.0 CD2 A:HIS1471 3.1 14.5 1.0 CD A:GLU1408 3.2 24.4 1.0 CG A:GLU1408 3.7 18.9 1.0 CB A:GLU1408 4.1 14.7 1.0 O A:HOH2118 4.1 39.2 1.0 ND1 A:HIS1471 4.2 14.5 1.0 CG A:HIS1471 4.2 14.4 1.0 O A:HOH2007 4.3 40.7 1.0 O A:HOH2170 4.3 26.5 1.0 OE2 A:GLU1408 4.3 27.6 1.0 O A:HOH2030 4.7 47.9 1.0 CA A:GLY1442 4.7 19.4 1.0

Sodium binding site 2 out of 3 in the CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2497 b:31.1 occ:1.00 CA A:FLC2499 2.8 64.8 1.0 OG2 A:FLC2499 3.1 64.4 1.0 CBC A:FLC2499 3.5 64.2 1.0 OB2 A:FLC2499 3.6 64.1 1.0 CGC A:FLC2499 3.6 64.4 1.0 CB A:FLC2499 3.6 64.5 1.0 CAC A:FLC2499 4.0 65.5 1.0 OB1 A:FLC2499 4.1 64.4 1.0 CG A:FLC2499 4.1 64.5 1.0 OG1 A:FLC2499 4.3 64.8 1.0 O A:HOH2226 4.3 43.9 1.0 OA1 A:FLC2499 4.4 65.9 1.0 O A:HOH2224 4.8 54.1 1.0 OHB A:FLC2499 5.0 65.0 1.0 OA2 A:FLC2499 5.0 66.4 1.0

Sodium binding site 3 out of 3 in the CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of CPGH89CBM32-5, From Clostridium Perfringens, in Complex with the Tn Antigen within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2498 b:48.4 occ:1.00 OHB A:FLC2499 2.6 65.0 1.0 OA2 A:FLC2499 3.5 66.4 1.0 CB A:FLC2499 3.8 64.5 1.0 CAC A:FLC2499 3.8 65.5 1.0 CG A:FLC2499 4.0 64.5 1.0 O A:HOH2225 4.1 66.2 1.0 OA1 A:FLC2499 4.2 65.9 1.0 CA A:FLC2499 4.4 64.8 1.0 CBC A:FLC2499 4.9 64.2 1.0 OG1 A:FLC2499 4.9 64.8 1.0 CGC A:FLC2499 5.0 64.4 1.0

E.Ficko-Blean, C.P.Stuart, M.D.Suits, M.Cid, M.Tessier, R.J.Woods, A.B.Boraston. Carbohydrate Recognition By An Architecturally Complex Alpha-N-Acetylglucosaminidase From Clostridium Perfringens. Plos One V. 7 33524 2012.
ISSN: ISSN 1932-6203
PubMed: 22479408
DOI: 10.1371/JOURNAL.PONE.0033524