Calcium in PDB 4ht4: Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus

The structure of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus, PDB code: 4ht4 was solved by J.S.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.51 / 2.91
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.226, 63.226, 313.756, 90.00, 90.00, 120.00
R / Rfree (%)	22.9 / 28.6

The structure of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus (pdb code 4ht4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus, PDB code: 4ht4:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:0.7 occ:1.00 O A:CYS47 3.8 87.4 1.0 O A:ASP48 4.0 57.1 1.0 C A:ASP48 4.1 63.2 1.0 N A:TYR49 4.3 67.6 1.0 O A:HOH301 4.4 64.7 1.0 CA A:TYR49 4.4 72.2 1.0 N A:SER50 4.6 73.4 1.0 C A:CYS47 4.6 74.5 1.0 CA A:ASP48 4.7 77.7 1.0 C A:TYR49 4.8 76.2 1.0 OG A:SER50 4.9 78.1 1.0 SG A:CYS47 5.0 77.4 1.0

Calcium binding site 2 out of 8 in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:95.2 occ:1.00 O A:GLU127 3.8 66.0 1.0 C A:GLU127 3.8 74.2 1.0 N A:GLU128 3.9 77.8 1.0 CA A:GLU128 3.9 81.3 1.0 ND2 A:ASN93 4.2 86.4 1.0 CB A:GLU128 4.5 80.0 1.0 CA A:GLU127 4.6 78.7 1.0 CB A:ASN93 4.9 67.2 1.0 CG A:ASN93 5.0 74.7 1.0

Calcium binding site 3 out of 8 in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca204 b:0.1 occ:1.00 ND2 A:ASN15 3.7 96.1 1.0 CG A:ASN15 4.9 86.9 1.0

Calcium binding site 4 out of 8 in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca205 b:0.3 occ:1.00 O B:HOH204 2.5 81.5 1.0 ND2 A:ASN129 3.6 76.0 1.0 ND1 A:HIS131 3.7 65.0 1.0 O A:HOH309 3.8 71.3 1.0 O3' B:DC27 3.8 92.5 1.0 CG A:HIS131 3.9 69.8 1.0 CE1 A:HIS131 4.0 79.1 1.0 CD1 A:ILE88 4.1 84.3 1.0 OP1 B:DG28 4.2 84.9 1.0 C4' B:DC27 4.2 81.7 1.0 CD2 A:HIS131 4.3 77.4 1.0 CB A:HIS131 4.4 68.5 1.0 O4' B:DC27 4.4 83.4 1.0 NE2 A:HIS131 4.4 77.7 1.0 CG A:ASN129 4.6 72.0 1.0 C3' B:DC27 4.7 85.2 1.0 P B:DG28 4.7 68.5 1.0 N3 B:DT25 4.7 76.2 1.0 O4 B:DT25 4.7 90.0 1.0 OD1 A:ASN129 4.8 78.6 1.0 NE2 A:HIS5 4.9 84.0 1.0 CD2 A:HIS5 5.0 78.1 1.0

Calcium binding site 5 out of 8 in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:0.9 occ:1.00 OP2 B:DG9 2.6 97.4 1.0 O B:HOH203 2.6 79.0 1.0 O6 B:DG10 2.7 88.9 1.0 C6 B:DG10 3.5 80.9 1.0 P B:DG9 4.0 84.4 1.0 N1 B:DG10 4.2 66.3 1.0 C5 B:DG10 4.3 82.3 1.0 O B:HOH201 4.4 71.6 1.0 C8 B:DG9 4.4 72.5 1.0 O5' B:DG9 4.5 0.2 1.0 C3' B:DC8 4.6 76.8 1.0 N7 B:DG10 4.6 80.1 1.0 N7 B:DG9 4.7 74.1 1.0 O3' B:DC8 4.8 86.6 1.0 C5' B:DC8 4.9 81.5 1.0

Calcium binding site 6 out of 8 in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca102 b:98.8 occ:1.00 N3 B:DA20 3.6 77.5 1.0 O4' B:DT21 3.8 79.4 1.0 O2 B:DT21 3.8 84.2 1.0 C2 B:DT21 3.9 75.5 1.0 N1 B:DT21 4.2 63.1 1.0 O A:ASN161 4.2 69.2 1.0 C2 B:DA20 4.3 70.6 1.0 C1' B:DA20 4.4 63.5 1.0 C1' B:DT21 4.4 74.0 1.0 N3 B:DT21 4.5 73.4 1.0 O4' B:DA20 4.6 72.3 1.0 C4 B:DA20 4.7 76.3 1.0 N4 B:DC2 4.8 72.4 1.0 CG A:LYS163 4.9 73.2 1.0 C6 B:DT21 4.9 74.4 1.0 N9 B:DA20 5.0 76.9 1.0 C4' B:DT21 5.0 80.0 1.0

Calcium binding site 7 out of 8 in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus within 5.0Å range:

Calcium binding site 8 out of 8 in the Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Molecular Basis of Vancomycin Resistance Transfer in Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca104 b:0.7 occ:1.00 OP1 B:DA12 4.2 0.5 1.0 OP2 B:DA12 4.9 0.4 1.0

J.S.Edwards, L.Betts, M.L.Frazier, R.M.Pollet, S.M.Kwong, W.G.Walton, W.K.Ballentine, J.J.Huang, S.Habibi, M.Del Campo, J.L.Meier, P.B.Dervan, N.Firth, M.R.Redinbo. Molecular Basis of Antibiotic Multiresistance Transfer in Staphylococcus Aureus. Proc.Natl.Acad.Sci.Usa V. 110 2804 2013.
ISSN: ISSN 0027-8424
PubMed: 23359708
DOI: 10.1073/PNAS.1219701110