Calcium in PDB 4b7u: Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine

All present enzymatic activity of Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine:
1.1.1.27;

The structure of Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine, PDB code: 4b7u was solved by R.W.Birkinshaw, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.96 / 1.88
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	155.290, 154.779, 58.906, 90.00, 90.00, 90.00
R / Rfree (%)	17.562 / 20.059

The binding sites of Calcium atom in the Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine (pdb code 4b7u). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine, PDB code: 4b7u:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:48.4 occ:1.00 O A:HOH2120 2.3 31.6 1.0 OD1 A:ASN140 2.3 24.4 1.0 O6 A:BCN1331 2.5 27.1 1.0 O22 A:BCN1331 2.5 25.0 1.0 N1 A:BCN1331 2.6 25.5 1.0 O4 A:BCN1331 2.7 23.5 1.0 NE2 A:HIS195 3.3 21.6 1.0 C5 A:BCN1331 3.3 26.4 1.0 C6 A:BCN1331 3.4 26.9 1.0 C2 A:BCN1331 3.4 25.1 1.0 CG A:ASN140 3.4 22.1 1.0 C3 A:BCN1331 3.4 25.6 1.0 C4 A:BCN1331 3.4 24.8 1.0 C1 A:BCN1331 3.5 25.4 1.0 ND2 A:ASN140 3.8 22.4 1.0 CD2 A:HIS195 3.9 21.7 1.0 CE1 A:HIS195 4.0 20.5 1.0 O A:HOH2265 4.0 43.7 1.0 O A:HOH2049 4.2 33.5 1.0 O A:HOH2121 4.3 18.7 1.0 O A:HOH2136 4.4 24.7 1.0 O21 A:BCN1331 4.6 24.8 1.0 CB A:ASN140 4.7 19.7 1.0 CG A:HIS195 4.8 20.0 1.0 ND1 A:HIS195 4.9 19.8 1.0

Calcium binding site 2 out of 4 in the Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca401 b:66.6 occ:1.00 O B:HOH2076 2.4 38.6 1.0 O6 B:BCN1331 2.4 38.9 1.0 O22 B:BCN1331 2.5 33.7 1.0 OD1 B:ASN140 2.6 28.6 1.0 N1 B:BCN1331 2.8 35.4 1.0 O4 B:BCN1331 2.9 35.3 1.0 NE2 B:HIS195 3.0 22.2 1.0 C2 B:BCN1331 3.3 34.4 1.0 C6 B:BCN1331 3.4 36.6 1.0 C5 B:BCN1331 3.4 36.0 1.0 C4 B:BCN1331 3.5 35.6 1.0 C3 B:BCN1331 3.6 35.5 1.0 CG B:ASN140 3.6 23.7 1.0 C1 B:BCN1331 3.6 34.9 1.0 CD2 B:HIS195 3.7 22.4 1.0 CE1 B:HIS195 3.8 21.5 1.0 ND2 B:ASN140 4.0 26.1 1.0 O B:HOH2064 4.0 54.3 1.0 O B:HOH2041 4.2 42.8 1.0 O B:HOH2077 4.2 27.8 1.0 O B:HOH2095 4.4 24.1 1.0 O21 B:BCN1331 4.5 34.1 1.0 CG B:HIS195 4.7 20.4 1.0 ND1 B:HIS195 4.7 19.8 1.0 CB B:ASN140 5.0 21.0 1.0

Calcium binding site 3 out of 4 in the Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:61.8 occ:1.00 O C:HOH2085 2.4 40.1 1.0 O6 C:BCN1331 2.5 41.9 1.0 O22 C:BCN1331 2.5 38.9 1.0 OD1 C:ASN140 2.6 28.5 1.0 N1 C:BCN1331 2.7 39.5 1.0 O4 C:BCN1331 2.9 38.3 1.0 NE2 C:HIS195 3.0 23.1 1.0 C6 C:BCN1331 3.3 40.6 1.0 C5 C:BCN1331 3.3 40.0 1.0 C2 C:BCN1331 3.4 39.1 1.0 C4 C:BCN1331 3.5 39.1 1.0 C3 C:BCN1331 3.5 39.4 1.0 CG C:ASN140 3.6 24.2 1.0 C1 C:BCN1331 3.6 39.4 1.0 CD2 C:HIS195 3.7 22.6 1.0 CE1 C:HIS195 3.8 21.8 1.0 ND2 C:ASN140 3.8 26.3 1.0 O C:HOH2051 4.0 44.4 1.0 O C:HOH2105 4.3 34.9 1.0 O C:HOH2084 4.3 30.7 1.0 O21 C:BCN1331 4.5 39.1 1.0 CG C:HIS195 4.7 21.3 1.0 ND1 C:HIS195 4.7 21.2 1.0

Calcium binding site 4 out of 4 in the Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Plasmodium Falciparum L-Lactate Dehydrogenase Complexed with Bicine within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca401 b:78.9 occ:1.00 O D:HOH2070 2.3 35.7 1.0 O21 D:BCN1332 2.4 36.5 1.0 OD1 D:ASN140 2.4 27.1 1.0 O6 D:BCN1332 2.6 39.3 1.0 O4 D:BCN1332 2.7 32.7 1.0 N1 D:BCN1332 2.9 36.6 1.0 NE2 D:HIS195 3.2 22.2 1.0 C2 D:BCN1332 3.4 36.5 1.0 CG D:ASN140 3.5 22.5 1.0 C6 D:BCN1332 3.6 37.8 1.0 C5 D:BCN1332 3.6 37.1 1.0 C4 D:BCN1332 3.6 35.5 1.0 C1 D:BCN1332 3.6 36.6 1.0 C3 D:BCN1332 3.7 36.4 1.0 CD2 D:HIS195 3.8 22.4 1.0 ND2 D:ASN140 3.8 24.7 1.0 CE1 D:HIS195 4.1 21.9 1.0 O D:HOH2085 4.4 28.2 1.0 O D:HOH2069 4.4 32.1 1.0 O22 D:BCN1332 4.5 36.8 1.0 CB D:ASN140 4.8 19.6 1.0 CG D:HIS195 4.8 20.8 1.0 O D:HOH2071 4.9 51.4 1.0 ND1 D:HIS195 5.0 20.5 1.0

R.W.Birkinshaw, R.L.Brady. The Crystal Structure of Plasmodium Falciparum L- Lactate Dehydrogenase in Complex with A Novel Bicine Ligand To Be Published.