Cadmium in PDB 7s7q: Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum

The structure of Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum, PDB code: 7s7q was solved by M.H.Dietrich, W.H.Tham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.16 / 2.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.712, 73.712, 332.241, 90, 90, 90
R / Rfree (%)	23 / 28.5

The binding sites of Cadmium atom in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum (pdb code 7s7q). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 7 binding sites of Cadmium where determined in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum, PDB code: 7s7q:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7;

Cadmium binding site 1 out of 7 in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd402 b:213.1 occ:0.89 ND1 A:HIS324 3.1 94.8 1.0 CB A:HIS324 3.5 85.6 1.0 CG A:HIS324 3.5 91.0 1.0 CA A:HIS324 3.9 73.0 1.0 CE1 A:HIS324 4.0 99.0 1.0 O A:HIS324 4.4 95.7 1.0 CD2 A:HIS324 4.5 99.0 1.0 C A:HIS324 4.7 79.7 1.0 NE2 A:HIS324 4.8 101.4 1.0

Cadmium binding site 2 out of 7 in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd403 b:270.1 occ:1.00 NE2 A:HIS257 2.8 117.8 1.0 CE1 A:HIS257 3.7 117.4 1.0 CD2 A:HIS257 3.7 116.4 1.0 O A:LYS271 4.3 109.8 1.0 ND1 A:HIS257 4.8 115.0 1.0 CG A:HIS257 4.9 112.7 1.0

Cadmium binding site 3 out of 7 in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd404 b:136.4 occ:0.66 NE2 B:HIS234 2.8 132.7 1.0 CE1 A:HIS336 3.0 118.1 1.0 NE2 A:HIS336 3.0 118.8 1.0 CD2 B:HIS234 3.4 128.7 1.0 OD2 B:ASP235 3.8 129.9 1.0 CE1 B:HIS234 3.9 134.6 1.0 ND1 A:HIS336 4.1 117.7 1.0 CD2 A:HIS336 4.2 119.3 1.0 CG B:ASP235 4.4 127.7 1.0 CG B:HIS234 4.7 123.4 1.0 CG A:HIS336 4.8 116.2 1.0 ND1 B:HIS234 4.9 130.8 1.0 CB B:ASP235 4.9 124.3 1.0

Cadmium binding site 4 out of 7 in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd405 b:93.8 occ:1.00 OE1 A:GLU356 2.5 103.6 1.0 OE2 A:GLU356 2.7 100.0 1.0 CD A:GLU356 3.0 102.5 1.0 O A:SER350 4.3 107.9 1.0 CG A:GLU356 4.5 99.9 1.0

Cadmium binding site 5 out of 7 in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd406 b:148.4 occ:0.96 ND1 A:HIS23 2.7 125.0 1.0 CG A:HIS23 3.4 119.5 1.0 CB A:HIS23 3.6 117.6 1.0 CE1 A:HIS23 3.6 124.1 1.0 CA A:HIS23 4.0 110.3 1.0 CD2 A:HIS23 4.5 116.4 1.0 NE2 A:HIS23 4.6 118.5 1.0 CG2 A:ILE44 4.6 106.7 1.0 N A:HIS23 4.8 108.3 1.0 O A:SER22 4.9 106.0 1.0 CG1 A:ILE44 5.0 120.0 1.0

Cadmium binding site 6 out of 7 in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd402 b:111.9 occ:1.00 NE2 B:HIS42 2.3 131.1 1.0 CE1 B:HIS42 3.0 136.0 1.0 CD2 B:HIS42 3.2 130.1 1.0 ND1 B:HIS42 4.1 138.1 1.0 CG B:HIS42 4.2 134.4 1.0 CG B:GLN45 4.7 125.5 1.0 OG1 B:THR47 4.8 147.8 1.0 CD B:GLN45 5.0 123.2 1.0

Cadmium binding site 7 out of 7 in the Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Heterodimeric Complex of PF12 and PF41 of Plasmodium Falciparum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd403 b:196.2 occ:0.84 CD2 B:HIS93 2.8 172.4 1.0 NE2 B:HIS93 3.1 176.4 1.0 CG B:HIS93 3.1 167.2 1.0 CE1 B:HIS93 3.5 173.5 1.0 ND1 B:HIS93 3.5 168.5 1.0 CB B:HIS93 3.9 161.1 1.0 NZ B:LYS95 4.0 117.2 1.0 CE B:LYS95 4.9 110.8 1.0 CA B:HIS93 4.9 165.7 1.0

M.H.Dietrich, L.J.Chan, A.Adair, C.Boulet, M.T.O'neill, L.L.Tan, S.Keremane, Y.F.Mok, A.W.Lo, P.Gilson, W.H.Tham. Structure of the PF12 and PF41 Heterodimeric Complex of Plasmodium Falciparum 6-Cysteine Proteins. Fems Microbes V. 3 AC005 2022.
ISSN: ISSN 2633-6685
PubMed: 35308105
DOI: 10.1093/FEMSMC/XTAC005