Cobalt in PDB 1rl4: Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor

All present enzymatic activity of Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor:
3.5.1.31;

The structure of Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor, PDB code: 1rl4 was solved by M.A.Robien, K.T.Nguyen, A.Kumar, I.Hirsh, S.Turley, D.Pei, W.G.J.Hol, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.18
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	102.317, 102.317, 118.339, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 21.2

The binding sites of Cobalt atom in the Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor (pdb code 1rl4). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor, PDB code: 1rl4:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Co301 b:27.9 occ:1.00 O4 A:BRR401 1.8 30.5 1.0 NE2 A:HIS202 2.0 22.4 1.0 NE2 A:HIS198 2.1 27.6 1.0 O1 A:BRR401 2.4 30.2 1.0 SG A:CYS156 2.4 24.7 1.0 N3 A:BRR401 2.8 30.1 1.0 C2 A:BRR401 3.0 26.0 1.0 CD2 A:HIS202 3.0 22.7 1.0 CD2 A:HIS198 3.0 22.1 1.0 CE1 A:HIS202 3.1 22.1 1.0 CE1 A:HIS198 3.2 27.9 1.0 NE2 A:GLN112 3.2 24.8 1.0 CB A:CYS156 3.5 19.9 1.0 O A:HOH707 3.8 24.3 1.0 CD A:GLN112 3.9 36.6 1.0 CA A:CYS156 3.9 26.3 1.0 OE1 A:GLN112 4.0 34.9 1.0 CG A:HIS202 4.1 27.5 1.0 C5 A:BRR401 4.1 29.7 1.0 ND1 A:HIS202 4.2 21.7 1.0 CG A:HIS198 4.2 26.1 1.0 ND1 A:HIS198 4.3 30.3 1.0 N A:LEU157 4.3 29.2 1.0 C6 A:BRR401 4.5 42.0 1.0 C A:CYS156 4.6 29.4 1.0 C7 A:BRR401 4.8 43.1 1.0 O A:HOH704 4.9 22.6 1.0 O A:GLY155 5.0 36.8 1.0

Cobalt binding site 2 out of 2 in the Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Plasmodium Falciparum Peptide Deformylase Complex with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Co1301 b:30.1 occ:1.00 O4 B:BRR1401 1.8 31.3 1.0 NE2 B:HIS202 2.0 24.9 1.0 NE2 B:HIS198 2.1 34.3 1.0 SG B:CYS156 2.3 26.4 1.0 O1 B:BRR1401 2.4 31.2 1.0 N3 B:BRR1401 2.8 31.8 1.0 CD2 B:HIS202 3.0 26.2 1.0 C2 B:BRR1401 3.0 29.2 1.0 CD2 B:HIS198 3.0 22.2 1.0 CE1 B:HIS202 3.1 28.0 1.0 CE1 B:HIS198 3.1 31.3 1.0 NE2 B:GLN112 3.3 26.7 1.0 CB B:CYS156 3.5 21.2 1.0 O B:HOH1707 3.8 25.3 1.0 CA B:CYS156 3.9 26.7 1.0 CD B:GLN112 3.9 38.4 1.0 OE1 B:GLN112 4.1 36.4 1.0 CG B:HIS202 4.1 27.7 1.0 C5 B:BRR1401 4.2 30.5 1.0 ND1 B:HIS202 4.2 23.6 1.0 CG B:HIS198 4.2 25.7 1.0 ND1 B:HIS198 4.2 29.7 1.0 N B:LEU157 4.3 31.4 1.0 C B:CYS156 4.5 30.2 1.0 C6 B:BRR1401 4.5 41.8 1.0 C7 B:BRR1401 4.7 40.0 1.0 O B:HOH1704 4.8 26.1 1.0 O B:GLY155 4.9 36.8 1.0 N B:SER158 5.0 30.7 1.0

M.A.Robien, K.T.Nguyen, A.Kumar, I.Hirsh, S.Turley, D.Pei, W.G.J.Hol. An Improved Crystal Form of Plasmodium Falciparum Peptide Deformylase. Protein Sci. V. 13 1155 2004.
ISSN: ISSN 0961-8368
PubMed: 15010544
DOI: 10.1110/PS.03456404