Vanadium in PDB 7p8r: X-Ray Structure of the Adduct of A Vanadium Picolinate Complex with Rnase A at pH 5.1

All present enzymatic activity of X-Ray Structure of the Adduct of A Vanadium Picolinate Complex with Rnase A at pH 5.1:
4.6.1.18;

The structure of X-Ray Structure of the Adduct of A Vanadium Picolinate Complex with Rnase A at pH 5.1, PDB code: 7p8r was solved by G.Ferraro, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.71 / 1.27
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	100.23, 33.02, 72.71, 90, 90.16, 90
R / Rfree (%)	15.8 / 22.2

The binding sites of Vanadium atom in the X-Ray Structure of the Adduct of A Vanadium Picolinate Complex with Rnase A at pH 5.1 (pdb code 7p8r). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total only one binding site of Vanadium was determined in the X-Ray Structure of the Adduct of A Vanadium Picolinate Complex with Rnase A at pH 5.1, PDB code: 7p8r:

Vanadium binding site 1 out of 1 in the X-Ray Structure of the Adduct of A Vanadium Picolinate Complex with Rnase A at pH 5.1


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of X-Ray Structure of the Adduct of A Vanadium Picolinate Complex with Rnase A at pH 5.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:V201 b:17.5 occ:0.75 V A:AIV201 0.0 17.5 0.8 O A:AIV201 1.7 20.4 0.8 O11 A:AIV201 1.8 23.2 0.8 OE1 A:GLU111 2.0 19.6 1.0 O2 A:AIV201 2.0 17.7 0.8 N2 A:AIV201 2.0 14.4 0.8 N12 A:AIV201 2.1 16.5 0.8 C12 A:AIV201 2.6 18.9 0.8 C11 A:AIV201 2.8 17.3 0.8 C2 A:AIV201 2.8 19.8 0.8 C1 A:AIV201 2.9 15.4 0.8 CD A:GLU111 3.0 18.3 1.0 C3 A:AIV201 3.0 15.9 0.8 C13 A:AIV201 3.1 16.9 0.8 OE2 A:GLU111 3.3 23.1 1.0 O12 A:AIV201 3.8 19.4 0.8 O1 A:AIV201 4.0 16.7 0.8 C16 A:AIV201 4.1 15.8 0.8 O A:HOH348 4.2 32.3 1.0 C6 A:AIV201 4.3 15.8 0.8 C4 A:AIV201 4.3 19.3 0.8 C14 A:AIV201 4.4 13.1 0.8 CG A:GLU111 4.4 17.8 1.0 ND2 A:ASN71 4.5 13.1 1.0 NE2 A:HIS119 4.5 13.9 0.2 CB A:GLU111 4.7 18.4 1.0 CD2 A:HIS119 4.7 11.8 0.2 C15 A:AIV201 4.8 15.7 0.8 O A:HOH395 4.8 17.1 1.0 CG2 A:VAL118 4.9 14.7 1.0 C5 A:AIV201 4.9 19.8 0.8

G.Ferraro, N.Demitri, L.Vitale, G.Sciortino, D.Sanna, V.Ugone, E.Garribba, A.Merlino. Spectroscopic/Computational Characterization and the X-Ray Structure of the Adduct of the V IV O-Picolinato Complex with Rnase A. Inorg.Chem. 2021.
ISSN: ISSN 0020-1669
PubMed: 34847328
DOI: 10.1021/ACS.INORGCHEM.1C02912