Vanadium in PDB 1h2f: Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate

The structure of Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate, PDB code: 1h2f was solved by D.J.Rigden, J.E.Littlejohn, M.J.Jedrzejas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50 / 2.0
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.758, 55.758, 163.586, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.3

The binding sites of Vanadium atom in the Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate (pdb code 1h2f). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 3 binding sites of Vanadium where determined in the Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate, PDB code: 1h2f:
Jump to Vanadium binding site number: 1; 2; 3;

Vanadium binding site 1 out of 3 in the Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:V1209 b:36.0 occ:1.00 V1 A:VA31209 0.0 36.0 1.0 O0 A:VA31209 1.7 41.0 1.0 O3 A:VA31209 1.7 46.1 1.0 O9 A:VA31209 1.7 38.1 1.0 NE2 A:HIS10 1.8 43.7 1.0 CE1 A:HIS10 2.8 34.1 1.0 CD2 A:HIS10 2.8 29.7 1.0 V2 A:VA31209 3.1 38.2 1.0 OE2 A:GLU83 3.7 42.6 1.0 O6 A:VA31209 3.7 47.9 1.0 NE A:ARG9 3.8 39.7 1.0 O4 A:VA31209 3.8 33.4 1.0 ND1 A:HIS10 3.9 32.4 1.0 NH2 A:ARG9 3.9 34.8 1.0 V3 A:VA31209 3.9 39.4 1.0 CG A:HIS10 3.9 34.9 1.0 NE2 A:GLN22 3.9 32.9 1.0 ND1 A:HIS151 4.0 31.1 1.0 NE A:ARG59 4.0 29.9 1.0 CB A:HIS151 4.1 23.5 1.0 N A:GLY152 4.2 32.2 1.0 CZ A:ARG9 4.3 38.6 1.0 O2 A:VA31209 4.4 46.4 1.0 NH1 A:ARG59 4.5 33.3 1.0 CG A:HIS151 4.5 34.0 1.0 CD A:GLU83 4.5 34.9 1.0 CA A:HIS151 4.6 29.6 1.0 CZ A:ARG59 4.7 32.4 1.0 CG A:GLU83 4.8 28.4 1.0 ND2 A:ASN16 4.8 32.2 1.0 CG A:ARG9 4.8 37.6 1.0 CD A:ARG9 4.9 37.8 1.0 CD A:ARG59 4.9 29.5 1.0 O7 A:VA31209 4.9 46.4 1.0 C A:HIS151 5.0 28.1 1.0

Vanadium binding site 2 out of 3 in the Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:V1209 b:38.2 occ:1.00 V2 A:VA31209 0.0 38.2 1.0 O4 A:VA31209 1.7 33.4 1.0 O2 A:VA31209 1.7 46.4 1.0 O3 A:VA31209 1.7 46.1 1.0 O6 A:VA31209 1.8 47.9 1.0 V1 A:VA31209 3.1 36.0 1.0 V3 A:VA31209 3.2 39.4 1.0 O A:HOH2139 3.5 49.2 1.0 O0 A:VA31209 3.6 41.0 1.0 ND2 A:ASN16 3.6 32.2 1.0 O A:HOH2014 3.7 37.8 1.0 NH2 A:ARG9 3.8 34.8 1.0 O A:HOH2141 3.8 34.8 1.0 NE2 A:GLN22 3.8 32.9 1.0 O9 A:VA31209 4.0 38.1 1.0 O8 A:VA31209 4.1 35.7 1.0 OE2 A:GLU83 4.4 42.6 1.0 O7 A:VA31209 4.4 46.4 1.0 NE2 A:HIS10 4.4 43.7 1.0 CE1 A:HIS10 4.7 34.1 1.0 CG A:ASN16 4.8 37.4 1.0 CZ A:ARG9 4.9 38.6 1.0 O A:HOH2140 4.9 53.8 1.0 CD A:GLN22 4.9 42.3 1.0

Vanadium binding site 3 out of 3 in the Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 3 of Bacillus Stearothermophilus Phoe (Previously Known As Yhfr) in Complex with Trivanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:V1209 b:39.4 occ:1.00 V3 A:VA31209 0.0 39.4 1.0 O8 A:VA31209 1.7 35.7 1.0 O7 A:VA31209 1.7 46.4 1.0 O6 A:VA31209 1.8 47.9 1.0 OE2 A:GLU83 1.8 42.6 1.0 CD A:GLU83 2.7 34.9 1.0 V2 A:VA31209 3.2 38.2 1.0 O A:HOH2139 3.4 49.2 1.0 CG A:GLU83 3.4 28.4 1.0 O A:HOH2141 3.6 34.8 1.0 O0 A:VA31209 3.7 41.0 1.0 OE1 A:GLU83 3.7 29.0 1.0 O4 A:VA31209 3.8 33.4 1.0 O9 A:VA31209 3.8 38.1 1.0 V1 A:VA31209 3.9 36.0 1.0 O3 A:VA31209 3.9 46.1 1.0 CG2 A:VAL153 4.0 28.9 1.0 O A:HOH2140 4.2 53.8 1.0 N A:VAL153 4.2 28.8 1.0 O2 A:VA31209 4.5 46.4 1.0 N A:GLY152 4.5 32.2 1.0 CA A:GLY152 4.6 30.7 1.0 CB A:VAL153 4.7 29.0 1.0 CB A:GLU83 4.8 30.7 1.0 C A:GLY152 4.9 32.0 1.0

D.J.Rigden, J.E.Littlejohn, K.Henderson, M.J.Jedrzejas. Structures of Phosphate and Trivanadate Complexes of Bacillus Stearothermophilus Phosphatase Phoe: Structural and Functional Analysis in the Cofactor-Dependent Phosphoglycerate Mutase Superfamily J.Mol.Biol. V. 325 411 2003.
ISSN: ISSN 0022-2836
PubMed: 12498792
DOI: 10.1016/S0022-2836(02)01229-9