Nickel in PDB 2qj3: Mycobacterium Tuberculosis Fabd

All present enzymatic activity of Mycobacterium Tuberculosis Fabd:
2.3.1.39;

The structure of Mycobacterium Tuberculosis Fabd, PDB code: 2qj3 was solved by H.Ghadbane, A.K.Brown, L.Kremer, G.S.Besra, K.Futterer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 3.00
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	180.240, 180.240, 95.990, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 26.7

The binding sites of Nickel atom in the Mycobacterium Tuberculosis Fabd (pdb code 2qj3). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 5 binding sites of Nickel where determined in the Mycobacterium Tuberculosis Fabd, PDB code: 2qj3:
Jump to Nickel binding site number: 1; 2; 3; 4; 5;

Nickel binding site 1 out of 5 in the Mycobacterium Tuberculosis Fabd


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Mycobacterium Tuberculosis Fabd within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni801 b:68.0 occ:1.00 OG B:SER-17 2.4 63.6 1.0 CB B:SER-17 3.8 64.5 1.0 CA B:SER-17 4.7 64.6 1.0 C B:SER-17 4.8 64.8 1.0 N B:SER-17 4.9 64.7 1.0

Nickel binding site 2 out of 5 in the Mycobacterium Tuberculosis Fabd


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Mycobacterium Tuberculosis Fabd within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni802 b:51.5 occ:1.00 NE2 B:HIS0 2.0 53.7 1.0 NE2 B:HIS-10 2.1 65.3 1.0 OD1 B:ASP84 2.2 64.8 1.0 NE2 B:HIS-12 2.3 61.9 1.0 CE1 B:HIS0 3.0 53.5 1.0 CG B:ASP84 3.0 62.9 1.0 CE1 B:HIS-10 3.0 64.7 1.0 CD2 B:HIS0 3.1 54.8 1.0 OD2 B:ASP84 3.1 60.9 1.0 CD2 B:HIS-10 3.2 64.9 1.0 CE1 B:HIS-12 3.3 62.4 1.0 CD2 B:HIS-12 3.3 62.3 1.0 ND1 B:HIS0 4.1 53.9 1.0 CG B:HIS0 4.2 56.4 1.0 ND1 B:HIS-10 4.2 64.5 1.0 CG B:HIS-10 4.3 64.1 1.0 ND1 B:HIS-12 4.4 62.8 1.0 CB B:ASP84 4.4 63.0 1.0 CG B:HIS-12 4.5 62.5 1.0 N B:ASP84 4.7 63.4 1.0 CA B:ASP84 4.9 63.1 1.0

Nickel binding site 3 out of 5 in the Mycobacterium Tuberculosis Fabd


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Mycobacterium Tuberculosis Fabd within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni803 b:57.6 occ:1.00 OD2 B:ASP216 2.1 63.8 1.0 CG B:ASP216 2.9 61.7 1.0 OD1 B:ASP216 3.0 62.0 1.0 CB B:ASP216 4.3 60.5 1.0

Nickel binding site 4 out of 5 in the Mycobacterium Tuberculosis Fabd


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Mycobacterium Tuberculosis Fabd within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni804 b:60.6 occ:1.00 NE2 B:HIS-15 2.1 65.3 1.0 NE2 B:HIS-13 2.3 64.2 1.0 CE1 B:HIS-15 2.9 65.2 1.0 CE1 B:HIS-13 3.1 64.0 1.0 CD2 B:HIS-15 3.3 65.4 1.0 CD2 B:HIS-13 3.3 63.5 1.0 ND1 B:HIS-15 4.1 65.0 1.0 ND1 B:HIS-13 4.2 63.5 1.0 CG B:HIS-15 4.3 64.8 1.0 CG B:HIS-13 4.3 62.7 1.0 OG1 B:THR218 4.7 57.8 1.0

Nickel binding site 5 out of 5 in the Mycobacterium Tuberculosis Fabd


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 5 of Mycobacterium Tuberculosis Fabd within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni805 b:61.5 occ:1.00 NE2 B:HIS-11 2.1 60.8 1.0 NE2 B:HIS-14 2.3 62.1 1.0 CE1 B:HIS-11 2.9 61.1 1.0 CD2 B:HIS-14 3.0 62.3 1.0 CD2 B:HIS-11 3.3 61.4 1.0 CE1 B:HIS-14 3.4 61.5 1.0 O B:HIS-13 4.1 62.1 1.0 ND1 B:HIS-11 4.1 61.5 1.0 CG B:HIS-14 4.2 62.6 1.0 CG B:HIS-11 4.3 61.5 1.0 ND1 B:HIS-14 4.4 62.1 1.0

H.Ghadbane, A.K.Brown, L.Kremer, G.S.Besra, K.Futterer. Structure of Mycobacterium Tuberculosis Mtfabd, A Malonyl-Coa:Acyl Carrier Protein Transacylase (Mcat). Acta Crystallogr.,Sect.F V. 63 831 2007.
ISSN: ESSN 1744-3091
PubMed: 17909282
DOI: 10.1107/S1744309107042455