Calcium in PDB 6ao1: Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum

The structure of Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum, PDB code: 6ao1 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.06 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	69.300, 70.800, 82.580, 90.47, 98.62, 112.46
R / Rfree (%)	16.4 / 20.1

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>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum (pdb code 6ao1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 17 binding sites of Calcium where determined in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum, PDB code: 6ao1:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


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 A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:21.1 occ:1.00 OD2 A:ASP224 2.4 23.0 1.0 NE2 A:HIS269 2.5 17.7 1.0 O A:HOH606 2.5 28.2 1.0 OD2 A:ASP98 2.5 22.4 1.0 NE2 A:HIS99 2.5 17.9 1.0 O A:HOH746 2.6 34.4 1.0 OD1 A:ASP224 2.6 21.6 1.0 CG A:ASP224 2.9 23.7 1.0 CD2 A:HIS269 3.4 20.5 1.0 CD2 A:HIS99 3.4 20.4 1.0 CE1 A:HIS269 3.5 19.5 1.0 CG A:ASP98 3.5 26.1 1.0 CE1 A:HIS99 3.5 19.2 1.0 OD1 A:ASP98 3.8 25.2 1.0 CA A:CA404 3.8 16.7 1.0 O A:HOH764 4.2 32.7 1.0 CB A:ASP224 4.4 19.3 1.0 CG A:HIS269 4.6 21.6 1.0 ND1 A:HIS269 4.6 18.5 1.0 NE2 A:HIS94 4.6 19.1 1.0 CG A:HIS99 4.6 17.4 1.0 ND1 A:HIS99 4.7 16.6 1.0 CE1 A:HIS94 4.7 16.2 1.0 CD1 A:ILE43 4.8 18.4 1.0 CB A:ASP98 4.9 18.4 1.0 CB A:SER268 4.9 20.9 1.0

Calcium binding site 2 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


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 A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca404 b:16.7 occ:1.00 NE2 A:HIS205 2.2 19.0 1.0 OD2 A:ASP224 2.2 23.0 1.0 ND1 A:HIS96 2.2 24.7 1.0 NE2 A:HIS94 2.2 19.1 1.0 O A:HOH764 2.8 32.7 1.0 O A:HOH606 2.8 28.2 1.0 CD2 A:HIS94 3.0 19.3 1.0 CE1 A:HIS205 3.1 22.1 1.0 CE1 A:HIS96 3.1 25.8 1.0 CD2 A:HIS205 3.2 19.6 1.0 CG A:ASP224 3.2 23.7 1.0 CG A:HIS96 3.2 25.5 1.0 CE1 A:HIS94 3.3 16.2 1.0 CB A:HIS96 3.6 23.4 1.0 CB A:ASP224 3.7 19.3 1.0 CA A:CA403 3.8 21.1 1.0 ND1 A:HIS205 4.2 20.7 1.0 NE2 A:HIS96 4.2 25.6 1.0 CG A:HIS94 4.3 14.0 1.0 NE2 A:HIS99 4.3 17.9 1.0 OD1 A:ASP224 4.3 21.6 1.0 CG A:HIS205 4.3 20.6 1.0 CD2 A:HIS96 4.3 24.1 1.0 O A:HOH771 4.3 43.5 1.0 ND1 A:HIS94 4.4 16.7 1.0 O A:HOH746 4.4 34.4 1.0 CD2 A:HIS99 4.5 20.4 1.0 O A:HOH753 4.6 24.8 1.0

Calcium binding site 3 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


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 A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca405 b:45.4 occ:1.00 O A:HOH807 2.3 46.0 1.0 O A:HOH528 2.4 44.1 1.0 OE2 A:GLU108 2.5 30.8 1.0 CD A:GLU108 3.5 32.4 1.0 OE1 A:GLU108 3.7 32.8 1.0 O A:HOH536 4.5 38.6 1.0 O A:HOH643 4.5 34.6 1.0 ND2 A:ASN104 4.7 24.9 1.0 OD1 A:ASN104 4.8 25.7 1.0 CG A:GLU108 4.8 27.2 1.0 O A:HOH619 4.8 38.5 1.0

Calcium binding site 4 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


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 A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca403 b:17.7 occ:1.00 NE2 B:HIS205 2.1 18.2 1.0 OD2 B:ASP224 2.2 21.3 1.0 ND1 B:HIS96 2.2 24.2 1.0 NE2 B:HIS94 2.2 15.7 1.0 O B:HOH742 2.5 34.2 1.0 O B:HOH573 2.8 23.2 1.0 CE1 B:HIS205 3.0 18.4 1.0 CE1 B:HIS96 3.1 30.8 1.0 CD2 B:HIS94 3.1 17.4 1.0 CD2 B:HIS205 3.2 18.3 1.0 CG B:ASP224 3.3 20.3 1.0 CG B:HIS96 3.3 23.4 1.0 CE1 B:HIS94 3.3 14.9 1.0 CB B:HIS96 3.6 19.8 1.0 CB B:ASP224 3.6 16.7 1.0 CA B:CA404 3.9 18.9 1.0 ND1 B:HIS205 4.2 20.7 1.0 NE2 B:HIS96 4.2 26.2 1.0 CG B:HIS205 4.3 16.9 1.0 CG B:HIS94 4.3 12.5 1.0 NE2 B:HIS99 4.3 13.1 1.0 CD2 B:HIS96 4.3 27.9 1.0 O B:HOH784 4.4 41.2 1.0 OD1 B:ASP224 4.4 18.3 1.0 ND1 B:HIS94 4.4 14.5 1.0 O B:HOH739 4.4 31.0 1.0 CD2 B:HIS99 4.5 18.7 1.0 O B:HOH761 4.7 27.0 1.0

Calcium binding site 5 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca404 b:18.9 occ:1.00 OD2 B:ASP224 2.4 21.3 1.0 O B:HOH573 2.4 23.2 1.0 OD2 B:ASP98 2.4 21.4 1.0 NE2 B:HIS269 2.5 15.3 1.0 NE2 B:HIS99 2.5 13.1 1.0 O B:HOH739 2.6 31.0 1.0 OD1 B:ASP224 2.7 18.3 1.0 CG B:ASP224 2.9 20.3 1.0 CD2 B:HIS269 3.4 18.3 1.0 CD2 B:HIS99 3.4 18.7 1.0 CE1 B:HIS269 3.4 16.0 1.0 CG B:ASP98 3.4 21.6 1.0 CE1 B:HIS99 3.5 15.3 1.0 OD1 B:ASP98 3.7 23.2 1.0 CA B:CA403 3.9 17.7 1.0 O B:HOH742 4.0 34.2 1.0 CB B:ASP224 4.4 16.7 1.0 ND1 B:HIS269 4.6 16.1 1.0 CG B:HIS269 4.6 17.4 1.0 CG B:HIS99 4.6 19.2 1.0 ND1 B:HIS99 4.6 16.6 1.0 NE2 B:HIS94 4.7 15.7 1.0 CE1 B:HIS94 4.7 14.9 1.0 CD1 B:ILE43 4.7 15.9 1.0 CB B:ASP98 4.8 16.6 1.0 CB B:SER268 4.9 18.2 1.0

Calcium binding site 6 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca405 b:40.0 occ:1.00 O C:HOH513 2.1 31.2 1.0 O B:HOH819 2.3 47.2 1.0 O B:HOH569 2.4 22.4 1.0 O A:HOH501 2.4 34.5 1.0 O C:HOH661 2.5 36.1 1.0 O A:HOH666 2.6 39.5 1.0 O B:HOH682 3.4 37.9 1.0 O C:HOH537 3.5 47.9 1.0 OE2 A:GLU251 4.0 53.3 1.0 O B:HOH660 4.1 29.4 1.0 O C:ARG155 4.1 43.7 1.0 OD1 B:ASP188 4.4 20.8 1.0 OE1 A:GLU251 4.5 42.4 1.0 O B:ASP186 4.7 21.8 1.0 CD A:GLU251 4.7 45.0 1.0 O B:GLY187 4.8 20.8 1.0 NH1 B:ARG185 4.9 28.2 1.0 C B:GLY187 4.9 22.3 1.0 N C:GLU157 4.9 29.2 1.0

Calcium binding site 7 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca406 b:45.0 occ:1.00 O D:HOH621 2.4 36.6 1.0 OE2 D:GLU108 2.5 33.9 1.0 ND1 B:HIS277 2.5 20.8 1.0 O B:HOH780 2.8 47.7 1.0 O B:HOH728 2.8 36.3 1.0 CE1 B:HIS277 3.3 24.3 1.0 CD D:GLU108 3.4 32.5 1.0 OE1 D:GLU108 3.5 37.3 1.0 CG B:HIS277 3.6 19.9 1.0 CB B:HIS277 4.1 16.9 1.0 O D:HOH584 4.5 35.9 1.0 NE2 B:HIS277 4.5 21.8 1.0 O D:HOH538 4.5 33.0 1.0 ND2 D:ASN104 4.6 31.7 1.0 CD2 B:HIS277 4.7 23.9 1.0 OD1 D:ASN104 4.7 33.6 1.0 CB B:ALA261 4.7 22.0 1.0 CG D:GLU108 4.7 31.4 1.0 O D:HOH627 5.0 35.3 1.0

Calcium binding site 8 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca407 b:27.8 occ:1.00 O B:HOH769 2.3 35.0 1.0 O B:HOH579 2.4 28.4 1.0 O B:HIS6 2.4 25.6 1.0 O B:HOH619 2.5 26.9 1.0 O D:HOH575 2.7 37.0 1.0 C B:HIS6 3.6 26.1 1.0 O B:HOH824 3.9 43.1 1.0 O B:HOH611 4.4 38.4 1.0 CA B:GLN7 4.4 20.8 1.0 ND1 B:HIS6 4.4 24.2 1.0 O D:HOH570 4.5 41.2 1.0 N B:GLN7 4.5 23.9 1.0 CA B:HIS6 4.6 24.9 1.0 CB B:HIS6 4.7 24.9 1.0 OD2 D:ASP111 4.7 42.9 1.0 O B:LEU8 4.7 24.2 1.0 C B:GLN7 4.8 20.6 1.0 CG D:ASP111 4.9 45.2 1.0

Calcium binding site 9 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca408 b:45.6 occ:1.00 O B:HOH502 2.3 39.0 1.0 OE1 B:GLU157 3.0 79.3 1.0 OE2 B:GLU157 3.4 76.3 1.0 CD B:GLU157 3.6 76.6 1.0 O B:HOH524 3.7 35.9 1.0 O B:ARG155 4.5 50.0 1.0

Calcium binding site 10 out of 17 in the Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca409 b:39.6 occ:1.00 O B:MET16 2.4 23.9 1.0 O B:HOH523 2.4 39.9 1.0 O B:HOH841 2.5 43.3 1.0 O B:HOH729 2.5 36.7 1.0 O B:HOH617 2.7 28.6 1.0 O B:HOH659 2.8 33.4 1.0 C B:MET16 3.5 24.2 1.0 N B:MET16 4.0 28.8 1.0 N B:ALA18 4.1 24.8 1.0 CA B:PRO17 4.3 24.3 1.0 N B:PRO17 4.4 21.9 1.0 CA B:MET16 4.5 27.1 1.0 C B:PRO17 4.6 25.8 1.0 O B:HOH669 4.6 40.9 1.0 OE1 B:GLN23 4.7 34.8 1.0

T.E.Edwards, S.L.Delker, D.D.Lorimer. Crystal Structure of A Beta-Lactamase From Burkholderia Phymatum To Be Published.