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

Enzymatic activity of 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;

Protein crystallography data

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

Manganese Binding Sites:

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 3u6w

Go back to Manganese Binding Sites List in 3u6w
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 3u6w

Go back to Manganese Binding Sites List in 3u6w
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

Reference:

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
Page generated: Sat Oct 5 18:04:02 2024

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