Calcium in PDB 1hdh: Arylsulfatase From Pseudomonas Aeruginosa

All present enzymatic activity of Arylsulfatase From Pseudomonas Aeruginosa:
3.1.6.1;

The structure of Arylsulfatase From Pseudomonas Aeruginosa, PDB code: 1hdh was solved by I.Boltes, H.Czapinska, A.Kahnert, R.Von Buelow, T.Dirks, B.Schmidt, K.Vonfigura, M.A.Kertesz, I.Uson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	188.920, 67.290, 89.700, 90.00, 94.20, 90.00
R / Rfree (%)	19.9 / 22.9

The binding sites of Calcium atom in the Arylsulfatase From Pseudomonas Aeruginosa (pdb code 1hdh). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Arylsulfatase From Pseudomonas Aeruginosa, PDB code: 1hdh:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Arylsulfatase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Arylsulfatase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1528 b:10.9 occ:1.00 OD1 A:ASP14 2.2 9.2 1.0 OG1 A:DDZ51 2.3 16.8 1.0 OD1 A:ASP13 2.3 11.0 1.0 OD2 A:ASP317 2.4 9.9 1.0 OD1 A:ASN318 2.4 9.7 1.0 O1 A:SO41529 2.6 15.8 1.0 OD1 A:ASP317 2.6 9.0 1.0 CG A:ASP317 2.8 10.4 1.0 CG A:ASN318 3.3 8.2 1.0 CG A:ASP14 3.4 7.7 1.0 CG A:ASP13 3.5 10.0 1.0 ND2 A:ASN318 3.6 9.0 1.0 CB A:DDZ51 3.6 12.6 1.0 N A:ASP14 3.8 7.2 1.0 S A:SO41529 3.9 19.7 1.0 CA A:DDZ51 3.9 11.0 1.0 N A:DDZ51 4.1 12.3 1.0 OD2 A:ASP14 4.1 8.9 1.0 C A:ASP13 4.2 9.1 1.0 O2 A:SO41529 4.2 16.8 1.0 OD2 A:ASP13 4.3 10.4 1.0 CA A:ASP13 4.3 9.1 1.0 OG2 A:DDZ51 4.3 12.1 1.0 CB A:ASP317 4.3 10.4 1.0 CA A:ASP14 4.3 7.8 1.0 CB A:ASP14 4.3 9.2 1.0 O3 A:SO41529 4.4 17.5 1.0 CD2 A:HIS211 4.4 9.1 1.0 CB A:ASP13 4.4 8.0 1.0 NZ A:LYS113 4.5 12.4 1.0 CE A:LYS375 4.5 10.4 1.0 NH2 A:ARG55 4.6 10.0 1.0 CB A:ASN318 4.7 9.0 1.0 NZ A:LYS375 4.7 10.8 1.0 C A:THR50 4.9 8.8 1.0 C A:ASP317 5.0 9.7 1.0

Calcium binding site 2 out of 2 in the Arylsulfatase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Arylsulfatase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1528 b:10.8 occ:1.00 OD1 B:ASP14 2.2 8.4 1.0 OD1 B:ASP13 2.3 11.5 1.0 OG1 B:DDZ51 2.3 16.3 1.0 OD2 B:ASP317 2.4 9.4 1.0 OD1 B:ASN318 2.4 9.3 1.0 O1 B:SO41529 2.6 17.1 1.0 OD1 B:ASP317 2.6 9.4 1.0 CG B:ASP317 2.8 9.3 1.0 CG B:ASN318 3.3 8.1 1.0 CG B:ASP14 3.4 6.3 1.0 CG B:ASP13 3.5 9.4 1.0 ND2 B:ASN318 3.6 8.2 1.0 CB B:DDZ51 3.6 11.8 1.0 N B:ASP14 3.8 7.8 1.0 S B:SO41529 3.9 21.1 1.0 CA B:DDZ51 3.9 11.5 1.0 N B:DDZ51 4.1 11.5 1.0 OD2 B:ASP14 4.1 8.4 1.0 O2 B:SO41529 4.2 17.1 1.0 C B:ASP13 4.2 8.5 1.0 OD2 B:ASP13 4.3 10.8 1.0 CB B:ASP317 4.3 9.2 1.0 CA B:ASP13 4.3 8.3 1.0 OG2 B:DDZ51 4.3 13.0 1.0 CA B:ASP14 4.4 7.7 1.0 CB B:ASP14 4.4 8.3 1.0 O3 B:SO41529 4.4 18.8 1.0 CD2 B:HIS211 4.4 10.9 1.0 CB B:ASP13 4.5 8.6 1.0 NZ B:LYS113 4.5 12.3 1.0 CE B:LYS375 4.5 11.2 1.0 NH2 B:ARG55 4.6 10.7 1.0 CB B:ASN318 4.7 8.6 1.0 NZ B:LYS375 4.7 10.3 1.0 C B:THR50 4.8 9.3 1.0 C B:ASP317 4.9 10.7 1.0 N B:ASN318 4.9 7.1 1.0

I.Boltes, H.Czapinska, A.Kahnert, R.Von Buelow, T.Dirks, B.Schmidt, K.Von Figura, M.A.Kertesz, I.Uson. 1.3 A Structure of Arylsulfatase From Pseudomonas Aeruginosa Establishes the Catalytic Mechanism of Sulfate Ester Cleavage in the Sulfatase Family. Structure V. 9 483 2001.
ISSN: ISSN 0969-2126
PubMed: 11435113
DOI: 10.1016/S0969-2126(01)00609-8