Calcium in PDB 4fdj: The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac

All present enzymatic activity of The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac:
3.1.6.4;

The structure of The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac, PDB code: 4fdj was solved by Y.Rivera-Colon, S.C.Garman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.31 / 2.81
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.706, 155.835, 61.801, 90.00, 113.43, 90.00
R / Rfree (%)	20.7 / 25.1

The binding sites of Calcium atom in the The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac (pdb code 4fdj). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac, PDB code: 4fdj:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:66.2 occ:1.00 OG1 A:DDZ79 2.1 25.6 1.0 OD1 A:ASP40 2.3 20.2 1.0 OD1 A:ASP39 2.5 35.6 1.0 OD2 A:ASP288 2.5 34.1 1.0 OD1 A:ASN289 2.6 25.7 1.0 OD1 A:ASP288 2.9 27.3 1.0 CG A:ASP288 3.0 28.4 1.0 CB A:DDZ79 3.4 27.9 1.0 CG A:ASP40 3.4 23.2 1.0 CG A:ASN289 3.4 24.4 1.0 ND2 A:ASN289 3.6 20.1 1.0 CA A:DDZ79 3.7 26.8 1.0 N A:ASP40 3.7 23.3 1.0 CG A:ASP39 3.8 30.5 1.0 N A:DDZ79 3.8 28.6 1.0 O1 A:NGA604 3.9 61.8 1.0 OD2 A:ASP40 4.0 22.1 1.0 OG2 A:DDZ79 4.0 29.6 1.0 CE A:LYS310 4.2 32.2 1.0 NZ A:LYS310 4.3 35.9 1.0 CA A:ASP40 4.3 26.3 1.0 C A:ASP39 4.3 24.4 1.0 CD2 A:HIS236 4.4 30.8 1.0 CB A:ASP288 4.4 23.5 1.0 CA A:ASP39 4.4 25.2 1.0 CB A:ASP40 4.4 25.2 1.0 NZ A:LYS140 4.5 39.3 1.0 NH2 A:ARG83 4.5 25.8 1.0 OD2 A:ASP39 4.6 31.2 1.0 C A:LEU78 4.6 28.3 1.0 CB A:ASP39 4.7 26.0 1.0 CB A:ASN289 4.8 18.2 1.0 NE2 A:HIS236 4.8 28.6 1.0 N A:ASN289 4.9 21.4 1.0

Calcium binding site 2 out of 2 in the The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Molecular Basis of Mucopolysaccharidosis IV A, Complex with Galnac within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca603 b:66.0 occ:1.00 OD1 B:ASP40 2.3 21.9 1.0 OG1 B:DDZ79 2.3 26.9 1.0 OD1 B:ASN289 2.4 26.9 1.0 OD2 B:ASP288 2.6 35.5 1.0 OD1 B:ASP39 2.6 37.2 1.0 OD1 B:ASP288 2.9 28.9 1.0 CG B:ASP288 3.0 29.8 1.0 CG B:ASN289 3.3 25.8 1.0 CG B:ASP40 3.4 24.8 1.0 CB B:DDZ79 3.5 28.9 1.0 ND2 B:ASN289 3.5 21.8 1.0 CA B:DDZ79 3.7 27.8 1.0 N B:ASP40 3.7 25.1 1.0 N B:DDZ79 3.8 29.7 1.0 CG B:ASP39 3.9 31.8 1.0 O1 B:NGA604 3.9 61.7 1.0 OD2 B:ASP40 4.0 23.6 1.0 OG2 B:DDZ79 4.1 30.5 1.0 CE B:LYS310 4.2 33.5 1.0 CA B:ASP40 4.3 28.0 1.0 NZ B:LYS310 4.3 37.4 1.0 C B:ASP39 4.4 26.1 1.0 CB B:ASP288 4.4 24.9 1.0 CB B:ASP40 4.4 26.9 1.0 CA B:ASP39 4.4 26.6 1.0 CD2 B:HIS236 4.5 32.2 1.0 NH2 B:ARG83 4.5 27.3 1.0 C B:LEU78 4.6 29.4 1.0 NZ B:LYS140 4.6 40.3 1.0 CB B:ASN289 4.7 19.8 1.0 OD2 B:ASP39 4.7 32.3 1.0 CB B:ASP39 4.8 27.3 1.0 N B:ASN289 4.9 22.9 1.0 CD B:LYS310 4.9 32.5 1.0 NE2 B:HIS236 5.0 29.9 1.0 CA B:LEU78 5.0 28.3 1.0

Y.Rivera-Colon, E.K.Schutsky, A.Z.Kita, S.C.Garman. The Structure of Human Galns Reveals the Molecular Basis For Mucopolysaccharidosis IV A. J.Mol.Biol. V. 423 736 2012.
ISSN: ISSN 0022-2836
PubMed: 22940367
DOI: 10.1016/J.JMB.2012.08.020