Nickel in PDB 5d1r: Crystal Structure of Mycobacterium Tuberculosis RV1816 Transcriptional Regulator.

The structure of Crystal Structure of Mycobacterium Tuberculosis RV1816 Transcriptional Regulator., PDB code: 5d1r was solved by T.-H.Chou, J.Delmar, C.-C.Su, E.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.05 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.444, 86.533, 129.870, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 22.2

The structure of Crystal Structure of Mycobacterium Tuberculosis RV1816 Transcriptional Regulator. also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Nickel atom in the Crystal Structure of Mycobacterium Tuberculosis RV1816 Transcriptional Regulator. (pdb code 5d1r). 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 RV1816 Transcriptional Regulator., PDB code: 5d1r:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis RV1816 Transcriptional Regulator.


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 RV1816 Transcriptional Regulator. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni301 b:21.7 occ:1.00 HD1 B:HIS234 1.5 28.2 1.0 NE2 A:HIS236 2.0 23.5 1.0 NE2 A:HIS238 2.1 27.0 1.0 ND1 B:HIS234 2.3 23.5 1.0 NE2 B:HIS239 2.5 21.8 1.0 O B:HOH449 2.6 47.3 1.0 CE1 A:HIS236 2.8 19.1 1.0 CE1 A:HIS238 3.0 30.8 1.0 HB3 B:HIS234 3.1 29.8 1.0 CD2 A:HIS236 3.1 22.1 1.0 CD2 B:HIS239 3.2 38.4 1.0 CD2 A:HIS238 3.2 19.8 1.0 CE1 B:HIS234 3.2 26.7 1.0 CG B:HIS234 3.3 25.1 1.0 HE1 B:HIS234 3.4 32.0 1.0 CB B:HIS234 3.5 24.8 1.0 CE1 B:HIS239 3.6 30.2 1.0 HB2 B:HIS234 3.7 29.8 1.0 ND1 A:HIS236 4.0 18.8 1.0 CG A:HIS236 4.2 17.9 1.0 ND1 A:HIS238 4.2 24.7 1.0 CG A:HIS238 4.3 22.8 1.0 NE2 B:HIS234 4.4 20.4 1.0 CD2 B:HIS234 4.4 20.4 1.0 CG B:HIS239 4.4 44.9 1.0 ND1 B:HIS239 4.6 48.8 1.0 O B:HIS236 4.7 21.1 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis RV1816 Transcriptional Regulator.


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 RV1816 Transcriptional Regulator. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni302 b:23.7 occ:1.00 NE2 A:HIS235 2.1 23.1 1.0 NE2 A:HIS237 2.3 22.2 1.0 O B:HOH476 2.4 33.8 1.0 CD2 A:HIS235 2.9 20.9 1.0 CD2 A:HIS237 3.0 22.4 1.0 CE1 A:HIS235 3.2 21.8 1.0 CE1 A:HIS237 3.5 22.6 1.0 CG A:HIS235 4.1 23.4 1.0 ND1 A:HIS235 4.2 19.4 1.0 CG A:HIS237 4.3 21.6 1.0 O A:HOH466 4.4 31.4 1.0 ND1 A:HIS237 4.5 20.4 1.0 OE2 B:GLU233 4.5 44.7 1.0 O B:HOH404 4.9 35.3 1.0 CD B:GLU233 5.0 34.5 1.0

J.A.Delmar, T.H.Chou, C.C.Wright, M.H.Licon, J.K.Doh, A.Radhakrishnan, N.Kumar, H.T.Lei, J.R.Bolla, K.R.Rajashankar, C.C.Su, G.E.Purdy, E.W.Yu. Structural Basis For the Regulation of the Mmpl Transporters of Mycobacterium Tuberculosis. J.Biol.Chem. V. 290 28559 2015.
ISSN: ESSN 1083-351X
PubMed: 26396194
DOI: 10.1074/JBC.M115.683797