Calcium in PDB 1flg: Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa

The structure of Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa, PDB code: 1flg was solved by T.Keitel, A.Diehl, T.Knaute, J.J.Stezowski, W.Hohne, H.Gorisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.50 / 2.60
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	159.400, 159.400, 130.950, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 27.4

The binding sites of Calcium atom in the Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa (pdb code 1flg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa, PDB code: 1flg:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of the Quinoprotein Ethanol Dehydrogenase 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 Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca751 b:11.4 occ:1.00 O5 A:PQQ701 2.7 8.0 1.0 O7A A:PQQ701 2.8 4.9 1.0 OE1 A:GLU179 2.8 10.1 1.0 OD1 A:ASP316 2.8 6.1 1.0 OD1 A:ASN266 2.9 6.7 1.0 N6 A:PQQ701 2.9 6.7 1.0 OE2 A:GLU179 2.9 7.6 1.0 CD A:GLU179 3.3 10.0 1.0 C5 A:PQQ701 3.6 9.0 1.0 C7X A:PQQ701 3.6 4.8 1.0 CG A:ASN266 3.7 6.5 1.0 C7 A:PQQ701 3.7 4.2 1.0 C6A A:PQQ701 3.7 7.6 1.0 CG A:ASP316 3.8 12.0 1.0 ND2 A:ASN266 3.9 5.8 1.0 OD2 A:ASP316 4.1 12.7 1.0 CB A:SER318 4.1 7.2 1.0 NH2 A:ARG344 4.2 8.3 1.0 OG A:SER318 4.2 6.6 1.0 NE1 A:TRP248 4.5 5.7 1.0 CB A:ASP178 4.7 10.1 1.0 O7B A:PQQ701 4.7 4.0 1.0 OD2 A:ASP178 4.7 7.7 1.0 CG A:GLU179 4.8 9.7 1.0 C4 A:PQQ701 4.8 7.9 1.0 O A:HOH820 4.9 4.4 1.0 NH1 A:ARG344 4.9 8.3 1.0 C8 A:PQQ701 4.9 5.1 1.0 CB A:ASN266 5.0 5.3 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of the Quinoprotein Ethanol Dehydrogenase 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 Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca761 b:16.9 occ:1.00 O A:ASP17 2.7 8.6 1.0 OD1 A:ASP17 2.7 11.0 1.0 O A:ASP11 2.8 8.0 1.0 OD1 A:ASP11 2.9 4.8 1.0 O A:THR14 2.9 5.5 1.0 OG1 A:THR14 2.9 10.0 1.0 C A:ASP17 3.5 9.7 1.0 C A:ASP11 3.7 11.2 1.0 C A:THR14 3.7 8.1 1.0 CG A:ASP17 3.8 10.7 1.0 CG A:ASP11 3.8 12.1 1.0 CB A:THR14 3.9 8.9 1.0 CA A:ASP11 4.0 11.4 1.0 N A:ASP17 4.0 8.8 1.0 CA A:THR14 4.1 3.3 1.0 N A:THR14 4.2 5.9 1.0 CA A:ASP17 4.2 12.1 1.0 N A:VAL18 4.2 11.0 1.0 O A:HOH811 4.2 8.7 1.0 CA A:VAL18 4.3 10.8 1.0 CB A:ASP11 4.4 13.0 1.0 O A:HOH809 4.4 6.6 1.0 CB A:ASP17 4.5 11.5 1.0 N A:THR15 4.8 10.9 1.0 OD2 A:ASP11 4.8 14.4 1.0 OD2 A:ASP17 4.8 12.4 1.0 N A:ASP12 4.9 13.6 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca752 b:18.8 occ:1.00 OD1 B:ASN266 2.7 13.5 1.0 OE1 B:GLU179 2.8 17.3 1.0 O7A B:PQQ702 2.8 11.4 1.0 O5 B:PQQ702 2.8 10.1 1.0 N6 B:PQQ702 2.9 12.4 1.0 OE2 B:GLU179 2.9 17.5 1.0 OD1 B:ASP316 3.2 25.8 1.0 CD B:GLU179 3.2 18.4 1.0 C7X B:PQQ702 3.4 13.1 1.0 C5 B:PQQ702 3.6 13.8 1.0 C7 B:PQQ702 3.6 11.6 1.0 CG B:ASN266 3.6 15.1 1.0 C6A B:PQQ702 3.6 12.5 1.0 ND2 B:ASN266 3.9 10.9 1.0 CG B:ASP316 4.0 26.9 1.0 OD2 B:ASP316 4.1 24.3 1.0 OG B:SER318 4.2 27.5 1.0 CB B:ASP178 4.2 18.3 1.0 CB B:SER318 4.3 26.6 1.0 O7B B:PQQ702 4.5 9.7 1.0 O B:HOH768 4.5 4.8 1.0 NH2 B:ARG344 4.5 13.4 1.0 OD2 B:ASP178 4.5 19.0 1.0 CG B:GLU179 4.6 18.2 1.0 NE1 B:TRP248 4.7 9.0 1.0 C4 B:PQQ702 4.8 12.6 1.0 CB B:ASN266 4.9 17.0 1.0 C8 B:PQQ702 4.9 11.6 1.0 CG B:ASP178 5.0 19.8 1.0 NE1 B:TRP270 5.0 22.5 1.0 CZ2 B:TRP248 5.0 11.9 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca762 b:18.8 occ:1.00 OD1 B:ASP17 2.7 17.6 1.0 OD1 B:ASP11 2.7 24.0 1.0 O B:THR14 2.7 24.0 1.0 O B:ASP11 2.8 28.7 1.0 O B:ASP17 2.9 15.0 1.0 OG1 B:THR14 3.0 24.5 1.0 C B:ASP17 3.5 18.5 1.0 C B:ASP11 3.7 29.6 1.0 CG B:ASP11 3.7 27.6 1.0 CA B:ASP11 3.7 30.1 1.0 C B:THR14 3.8 24.1 1.0 CG B:ASP17 3.8 20.8 1.0 N B:ASP17 4.0 20.7 1.0 CB B:THR14 4.0 21.8 1.0 CD1 B:LEU19 4.1 20.3 1.0 N B:THR14 4.1 24.2 1.0 CA B:ASP17 4.1 19.3 1.0 CA B:THR14 4.1 23.5 1.0 CB B:ASP11 4.2 30.2 1.0 N B:VAL18 4.2 16.6 1.0 CB B:ASP17 4.4 21.2 1.0 CA B:VAL18 4.4 15.1 1.0 O B:HOH789 4.5 9.4 1.0 OD2 B:ASP11 4.6 29.2 1.0 OD2 B:ASP17 4.7 22.1 1.0 N B:THR15 4.7 20.6 1.0 N B:ASP12 4.8 29.7 1.0 N B:ASP11 4.9 30.4 1.0

T.Keitel, A.Diehl, T.Knaute, J.J.Stezowski, W.Hohne, H.Gorisch. X-Ray Structure of the Quinoprotein Ethanol Dehydrogenase From Pseudomonas Aeruginosa: Basis of Substrate Specificity. J.Mol.Biol. V. 297 961 2000.
ISSN: ISSN 0022-2836
PubMed: 10736230
DOI: 10.1006/JMBI.2000.3603