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Vanadium in PDB 3p2u: Crystal Structure of Phnp in Complex with Orthovanadate

Protein crystallography data

The structure of Crystal Structure of Phnp in Complex with Orthovanadate, PDB code: 3p2u was solved by K.Podzelinska, Y.M.Kim, D.Zechel, F.Faucher, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.27 / 1.48
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 110.761, 75.285, 82.423, 90.00, 125.52, 90.00
R / Rfree (%) 16.1 / 18.6

Other elements in 3p2u:

The structure of Crystal Structure of Phnp in Complex with Orthovanadate also contains other interesting chemical elements:

Manganese (Mn) 4 atoms
Zinc (Zn) 2 atoms

Vanadium Binding Sites:

The binding sites of Vanadium atom in the Crystal Structure of Phnp in Complex with Orthovanadate (pdb code 3p2u). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 2 binding sites of Vanadium where determined in the Crystal Structure of Phnp in Complex with Orthovanadate, PDB code: 3p2u:
Jump to Vanadium binding site number: 1; 2;

Vanadium binding site 1 out of 2 in 3p2u

Go back to Vanadium Binding Sites List in 3p2u
Vanadium binding site 1 out of 2 in the Crystal Structure of Phnp in Complex with Orthovanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Crystal Structure of Phnp in Complex with Orthovanadate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:V259

b:54.7
occ:1.00
V A:VO4259 0.0 54.7 1.0
O2 A:VO4259 1.9 33.8 1.0
O1 A:VO4259 1.9 22.1 1.0
O3 A:VO4259 1.9 37.1 1.0
O4 A:VO4259 1.9 42.2 1.0
O A:HOH272 2.8 21.3 1.0
O A:HOH345 3.1 34.2 1.0
NE2 A:HIS200 3.2 21.3 1.0
MN A:MN261 3.5 18.9 0.8
MN A:MN260 3.5 16.0 1.0
O A:HOH376 3.7 48.6 1.0
CE1 A:HIS200 3.7 20.3 1.0
OD2 A:ASP164 3.8 18.6 1.0
OD1 A:ASP80 4.3 18.9 1.0
ND1 A:HIS78 4.3 19.9 1.0
OD2 A:ASP80 4.4 22.8 1.0
CE1 A:HIS222 4.4 22.3 1.0
CD2 A:HIS200 4.5 20.9 1.0
NE2 A:HIS143 4.5 19.3 1.0
CE1 A:HIS143 4.6 19.6 1.0
NE2 A:HIS222 4.6 22.5 1.0
CE1 A:HIS78 4.7 21.1 1.0
CG A:ASP80 4.7 18.2 1.0
O A:HOH369 4.9 27.9 1.0
OD1 A:ASN199 4.9 40.1 1.0
CG A:HIS78 5.0 16.5 1.0
CG A:ASP164 5.0 20.9 1.0
CB A:ALA13 5.0 22.4 1.0

Vanadium binding site 2 out of 2 in 3p2u

Go back to Vanadium Binding Sites List in 3p2u
Vanadium binding site 2 out of 2 in the Crystal Structure of Phnp in Complex with Orthovanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Crystal Structure of Phnp in Complex with Orthovanadate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:V259

b:32.0
occ:0.80
V B:VO4259 0.0 32.0 0.8
O3 B:VO4259 1.9 14.5 0.8
O1 B:VO4259 1.9 21.5 0.8
O2 B:VO4259 1.9 21.1 0.8
O4 B:VO4259 1.9 26.7 0.8
O B:HOH277 2.9 18.8 1.0
NE2 B:HIS200 3.2 17.3 1.0
O B:HOH371 3.3 28.3 1.0
MN B:MN261 3.4 13.7 1.0
MN B:MN260 3.4 14.1 0.8
CE1 B:HIS200 3.6 16.6 1.0
OD2 B:ASP164 3.7 14.4 1.0
O B:HOH407 4.0 46.1 1.0
OD1 B:ASP80 4.2 16.8 1.0
ND1 B:HIS78 4.2 17.1 1.0
OD2 B:ASP80 4.2 17.1 1.0
CE1 B:HIS222 4.3 16.4 1.0
CE1 B:HIS143 4.4 13.8 1.0
NE2 B:HIS143 4.5 14.1 1.0
NE2 B:HIS222 4.5 15.8 1.0
CD2 B:HIS200 4.5 16.2 1.0
CG B:ASP80 4.6 15.6 1.0
CE1 B:HIS78 4.6 17.9 1.0
O B:HOH428 4.7 30.1 1.0
CG B:ASP164 4.9 15.6 1.0
CG B:HIS78 4.9 15.3 1.0
ND1 B:HIS200 5.0 15.1 1.0

Reference:

K.Podzelinska, Y.M.Kim, D.Zechel, F.Faucher, Z.Jia. Crystal Structure of Phnp in Complex with Orthovanadate To Be Published.
Page generated: Thu Oct 29 07:05:11 2020

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