Manganese in PDB 3py6: Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp

The structure of Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp, PDB code: 3py6 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)	36.43 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	72.860, 75.230, 98.540, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 16.8

The structure of Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Manganese atom in the Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp (pdb code 3py6). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp, PDB code: 3py6:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn300 b:8.3 occ:1.00 O A:HOH321 2.1 7.8 1.0 NE2 A:HIS241 2.2 3.8 1.0 OD2 A:ASP90 2.2 5.0 1.0 NE2 A:HIS91 2.2 2.9 1.0 O1P A:5GP303 2.2 13.0 1.0 OD2 A:ASP188 2.3 5.6 1.0 CG A:ASP188 3.1 5.4 1.0 CD2 A:HIS91 3.1 4.0 1.0 OD1 A:ASP188 3.1 6.5 1.0 CE1 A:HIS241 3.2 5.0 1.0 CG A:ASP90 3.2 4.6 1.0 CD2 A:HIS241 3.2 5.7 1.0 CE1 A:HIS91 3.3 3.5 1.0 MN A:MN301 3.4 7.8 1.0 OD1 A:ASP90 3.4 4.8 1.0 P A:5GP303 3.5 13.8 1.0 O3P A:5GP303 3.8 8.2 1.0 O5' A:5GP303 4.1 13.4 1.0 O A:HOH368 4.1 3.2 1.0 ND1 A:HIS241 4.3 6.3 1.0 CG A:HIS91 4.3 2.8 1.0 NE2 A:HIS86 4.3 3.2 1.0 CE1 A:HIS86 4.3 4.1 1.0 CG A:HIS241 4.3 5.2 1.0 ND1 A:HIS91 4.4 3.5 1.0 CE1 A:HIS219 4.4 6.3 1.0 CB A:ASP188 4.5 4.5 1.0 CB A:ASP90 4.5 4.9 1.0 O2P A:5GP303 4.6 14.7 1.0 CB A:SER18 4.8 5.5 1.0 NE2 A:HIS219 5.0 7.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:7.8 occ:1.00 O A:HOH321 2.0 7.8 1.0 O3P A:5GP303 2.2 8.2 1.0 ND1 A:HIS88 2.2 6.4 1.0 NE2 A:HIS86 2.3 3.2 1.0 NE2 A:HIS170 2.3 7.5 1.0 OD2 A:ASP188 2.4 5.6 1.0 CE1 A:HIS88 3.1 8.6 1.0 CD2 A:HIS86 3.2 4.8 1.0 CE1 A:HIS170 3.2 9.3 1.0 CG A:HIS88 3.2 6.2 1.0 CD2 A:HIS170 3.3 5.5 1.0 CE1 A:HIS86 3.3 4.1 1.0 P A:5GP303 3.3 13.8 1.0 MN A:MN300 3.4 8.3 1.0 CG A:ASP188 3.4 5.4 1.0 O1P A:5GP303 3.5 13.0 1.0 CB A:HIS88 3.6 5.5 1.0 O5' A:5GP303 3.9 13.4 1.0 CB A:ASP188 3.9 4.5 1.0 C5' A:5GP303 4.1 12.8 1.0 NE2 A:HIS91 4.2 2.9 1.0 NE2 A:HIS88 4.3 9.5 1.0 ND1 A:HIS170 4.3 6.8 1.0 CD2 A:HIS88 4.4 7.9 1.0 CG A:HIS86 4.4 3.5 1.0 CD2 A:HIS91 4.4 4.0 1.0 ND1 A:HIS86 4.4 3.9 1.0 CG A:HIS170 4.4 7.1 1.0 OD1 A:ASP188 4.4 6.5 1.0 OD1 A:ASP90 4.6 4.8 1.0 O2P A:5GP303 4.6 14.7 1.0 CE1 A:HIS219 4.8 6.3 1.0 NE2 A:HIS219 5.0 7.3 1.0 OD2 A:ASP90 5.0 5.0 1.0 C4' A:5GP303 5.0 12.1 1.0

J.Abendroth, B.Sankaran, T.E.Edwards, A.S.Gardberg, S.Dieterich, J.Bhandari, A.J.Napuli, W.C.Van Voorhis, B.L.Staker, P.J.Myler, L.J.Stewart. Crystal Structure of A Beta-Lactamase-Like Protein From Brucella Melitensis Bound to Gmp Acta Crystallogr.,Sect.F V. 67 1106 2011.
ISSN: ESSN 1744-3091
PubMed: 21904058
DOI: 10.1107/S1744309111010220