Molybdenum in PDB 7l5i: Crystal Structure of Haemophilus Influenzae Mtsz at pH 7.0

All present enzymatic activity of Crystal Structure of Haemophilus Influenzae Mtsz at pH 7.0:
1.7.2.3;

The structure of Crystal Structure of Haemophilus Influenzae Mtsz at pH 7.0, PDB code: 7l5i was solved by M.A.Struwe, Z.Luo, U.Kappler, B.Kobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.84 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.2, 93.681, 132.777, 90, 90, 90
R / Rfree (%)	13.2 / 16

The structure of Crystal Structure of Haemophilus Influenzae Mtsz at pH 7.0 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Molybdenum atom in the Crystal Structure of Haemophilus Influenzae Mtsz at pH 7.0 (pdb code 7l5i). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total only one binding site of Molybdenum was determined in the Crystal Structure of Haemophilus Influenzae Mtsz at pH 7.0, PDB code: 7l5i:

Molybdenum binding site 1 out of 1 in the Crystal Structure of Haemophilus Influenzae Mtsz at pH 7.0


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Crystal Structure of Haemophilus Influenzae Mtsz at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo905 b:15.0 occ:1.00 O A:O908 1.8 18.9 0.2 OG A:SER187 2.0 18.3 0.8 S13 A:MGD903 2.2 13.3 1.0 O A:O908 2.3 27.1 0.8 HB3 A:SER187 2.4 19.4 0.2 S13 A:MGD904 2.4 12.5 1.0 S12 A:MGD904 2.4 14.1 1.0 S12 A:MGD903 2.4 13.1 1.0 CB A:SER187 3.2 16.4 0.8 CB A:SER187 3.3 16.1 0.2 HE1 A:TRP156 3.3 17.2 1.0 HH A:TYR154 3.3 25.8 1.0 HA A:SER187 3.4 16.8 0.8 HA A:SER187 3.4 17.0 0.2 C13 A:MGD903 3.4 10.1 1.0 HB3 A:SER187 3.4 19.6 0.8 C13 A:MGD904 3.4 13.3 1.0 C12 A:MGD904 3.5 13.6 1.0 C12 A:MGD903 3.5 13.5 1.0 HE1 A:HIS686 3.6 14.8 1.0 HB2 A:SER187 3.6 19.4 0.2 HE1 A:HIS692 3.7 16.5 1.0 CA A:SER187 3.7 14.0 0.8 CA A:SER187 3.7 14.1 0.2 HE2 A:HIS692 3.9 18.5 1.0 HB2 A:SER187 3.9 19.6 0.8 NE1 A:TRP156 3.9 14.3 1.0 OH A:TYR154 3.9 21.5 1.0 H82 A:EPE901 4.0 48.3 0.9 N A:SER187 4.0 12.8 0.2 N A:SER187 4.1 12.6 0.8 H A:SER187 4.1 15.3 0.2 H A:SER187 4.2 15.1 0.8 HZ2 A:TRP156 4.2 16.1 1.0 OG A:SER187 4.2 17.0 0.2 CE1 A:HIS692 4.3 13.8 1.0 NE2 A:HIS692 4.3 15.4 1.0 CE1 A:HIS686 4.5 12.3 1.0 CE2 A:TRP156 4.5 14.5 1.0 HB2 A:TYR186 4.6 15.3 1.0 CZ2 A:TRP156 4.7 13.4 1.0 C A:TYR186 4.7 13.1 1.0 C14 A:MGD903 4.7 10.6 1.0 H15 A:MGD904 4.8 14.9 1.0 H15 A:MGD903 4.8 13.7 1.0 C11 A:MGD904 4.8 11.0 1.0 C14 A:MGD904 4.8 11.0 1.0 CD1 A:TRP156 4.8 15.2 1.0 C11 A:MGD903 4.8 10.5 1.0 H101 A:MGD903 4.8 14.6 1.0 H101 A:MGD904 4.8 16.0 1.0 HD1 A:TRP156 4.9 18.2 1.0 HG A:SER187 5.0 20.4 0.2 HE2 A:TYR154 5.0 15.4 1.0

M.A.Struwe, P.Kalimuthu, Z.Luo, Q.Zhong, D.Ellis, J.Yang, K.C.Khadanand, J.R.Harmer, M.L.Kirk, A.G.Mcewan, B.Clement, P.V.Bernhardt, B.Kobe, U.Kappler. Active Site Architecture Reveals Coordination Sphere Flexibility and Specificity Determinants in A Group of Closely Related Molybdoenzymes J.Biol.Chem. 2021.
ISSN: ESSN 1083-351X