Manganese in PDB 3u6w: Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv

All present enzymatic activity of Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv:
2.3.3.13;

The structure of Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv, PDB code: 3u6w was solved by N.Koon, E.N.Baker, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.26 / 2.21
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.715, 70.566, 69.879, 62.29, 81.26, 70.16
R / Rfree (%)	22.5 / 29.8

The binding sites of Manganese atom in the Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv (pdb code 3u6w). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv, PDB code: 3u6w:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn426 b:19.8 occ:1.00 OD2 A:ASP81 1.9 12.9 1.0 O3 A:KIV427 2.1 13.2 1.0 NE2 A:HIS285 2.1 7.8 1.0 NE2 A:HIS287 2.1 14.8 1.0 O2 A:KIV427 2.2 18.6 1.0 C2 A:KIV427 2.8 16.6 1.0 C1 A:KIV427 2.9 16.7 1.0 CE1 A:HIS287 2.9 16.5 1.0 CE1 A:HIS285 2.9 5.3 1.0 CG A:ASP81 3.0 12.4 1.0 CD2 A:HIS285 3.2 6.8 1.0 CD2 A:HIS287 3.3 11.9 1.0 OD1 A:ASP81 3.4 11.9 1.0 ND2 A:ASN321 4.0 12.1 1.0 ND1 A:HIS285 4.1 6.8 1.0 NH2 A:ARG80 4.1 17.3 1.0 O1 A:KIV427 4.1 16.1 1.0 ND1 A:HIS287 4.1 12.8 1.0 CG A:HIS285 4.2 8.2 1.0 C3 A:KIV427 4.3 14.7 1.0 CB A:ASP81 4.3 12.2 1.0 CG A:HIS287 4.3 11.3 1.0 CG A:ASN321 4.9 7.2 1.0 C5 A:KIV427 4.9 13.1 1.0 NH1 A:ARG80 4.9 17.0 1.0 C4 A:KIV427 4.9 15.0 1.0 CZ A:ARG80 5.0 14.3 1.0

Manganese binding site 2 out of 2 in the Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Truncated M. Tuberculosis Leua (1-425) Complexed with Kiv within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn426 b:15.3 occ:1.00 OD2 B:ASP81 2.1 15.8 1.0 O2 B:KIV427 2.2 12.3 1.0 NE2 B:HIS287 2.2 14.3 1.0 NE2 B:HIS285 2.2 8.5 1.0 O3 B:KIV427 2.4 9.8 1.0 C1 B:KIV427 2.8 14.1 1.0 C2 B:KIV427 2.9 12.8 1.0 CD2 B:HIS285 3.1 6.9 1.0 CD2 B:HIS287 3.1 10.4 1.0 CG B:ASP81 3.1 13.5 1.0 CE1 B:HIS287 3.2 15.5 1.0 CE1 B:HIS285 3.2 5.8 1.0 OD1 B:ASP81 3.5 16.0 1.0 ND2 B:ASN321 3.8 7.5 1.0 O1 B:KIV427 4.0 14.4 1.0 CG B:HIS285 4.3 8.6 1.0 CG B:HIS287 4.3 8.6 1.0 ND1 B:HIS287 4.3 11.1 1.0 ND1 B:HIS285 4.3 4.3 1.0 C3 B:KIV427 4.4 12.5 1.0 CB B:ASP81 4.5 10.4 1.0 NH2 B:ARG80 4.5 19.0 1.0 CG B:ASN321 4.8 5.8 1.0 C5 B:KIV427 4.8 11.2 1.0 NH1 B:ARG80 4.9 19.3 1.0 OD1 B:ASN321 5.0 4.6 1.0

F.H.Huisman, N.Koon, E.M.Bulloch, H.M.Baker, E.N.Baker, C.J.Squire, E.J.Parker. Removal of the C-Terminal Regulatory Domain of Alpha-Isopropylmalate Synthase Disrupts Functional Substrate Binding. Biochemistry V. 51 2289 2012.
ISSN: ISSN 0006-2960
PubMed: 22352945
DOI: 10.1021/BI201717J