Nickel in PDB 3hpx: Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644)

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644):
2.3.3.13;

The structure of Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644), PDB code: 3hpx was solved by N.Koon, C.J.Squire, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.03
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.025, 70.886, 70.043, 62.45, 81.41, 70.26
R / Rfree (%)	17.4 / 23.8

The binding sites of Nickel atom in the Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644) (pdb code 3hpx). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644), PDB code: 3hpx:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni701 b:21.5 occ:1.00 OD2 A:ASP81 2.1 19.7 1.0 NE2 A:HIS285 2.1 14.1 1.0 NE2 A:HIS287 2.1 14.2 1.0 OD1 A:ASN321 2.3 16.6 1.0 O A:HOH612 2.4 16.5 1.0 O A:HOH434 2.4 18.3 1.0 CE1 A:HIS285 3.0 12.7 1.0 CD2 A:HIS287 3.0 11.9 1.0 CG A:ASP81 3.1 17.2 1.0 CE1 A:HIS287 3.2 14.2 1.0 CG A:ASN321 3.2 10.4 1.0 CD2 A:HIS285 3.2 14.0 1.0 OD1 A:ASP81 3.3 21.3 1.0 ND2 A:ASN321 3.5 9.1 1.0 ND1 A:HIS285 4.1 13.4 1.0 CG A:HIS287 4.2 13.5 1.0 ND1 A:HIS287 4.2 17.4 1.0 O A:HOH531 4.3 22.1 1.0 CG A:HIS285 4.3 12.3 1.0 CB A:ASP81 4.4 15.3 1.0 O A:HOH667 4.5 23.6 1.0 CB A:ASN321 4.6 10.6 1.0 O A:HOH559 4.7 14.1 1.0 CA A:ASN321 5.0 10.0 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Leua Active Site Domain 1-425 (Truncation Mutant Delta:426-644) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni701 b:22.2 occ:1.00 NE2 B:HIS287 2.1 13.2 1.0 O B:HOH427 2.1 14.6 1.0 OD2 B:ASP81 2.2 14.4 1.0 NE2 B:HIS285 2.2 14.9 1.0 O B:HOH610 2.4 22.4 1.0 OD1 B:ASN321 2.4 13.8 1.0 CD2 B:HIS287 3.1 9.8 1.0 CE1 B:HIS287 3.1 8.1 1.0 CG B:ASP81 3.1 15.4 1.0 CE1 B:HIS285 3.2 13.7 1.0 CG B:ASN321 3.2 13.2 1.0 CD2 B:HIS285 3.2 12.9 1.0 OD1 B:ASP81 3.4 18.2 1.0 ND2 B:ASN321 3.4 6.9 1.0 ND1 B:HIS287 4.2 13.6 1.0 CG B:HIS287 4.2 13.3 1.0 ND1 B:HIS285 4.3 13.4 1.0 O B:HOH655 4.3 32.7 1.0 CG B:HIS285 4.4 14.2 1.0 O B:HOH678 4.4 19.1 1.0 CB B:ASP81 4.4 14.1 1.0 CB B:ASN321 4.6 11.2 1.0 O B:HOH565 4.7 15.5 1.0 CA B:ASN321 4.9 11.8 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