Atomistry » Vanadium » PDB 3omx-4zg4 » 4brl
Atomistry »
  Vanadium »
    PDB 3omx-4zg4 »
      4brl »

Vanadium in PDB 4brl: Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate

Enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate

All present enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate:
3.6.1.5;

Protein crystallography data

The structure of Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate, PDB code: 4brl was solved by M.Zebisch, P.Schaefer, P.Lauble, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.88 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.994, 83.463, 109.289, 90.00, 90.00, 90.00
R / Rfree (%) 14.416 / 19.773

Other elements in 4brl:

The structure of Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Chlorine (Cl) 3 atoms

Vanadium Binding Sites:

The binding sites of Vanadium atom in the Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate (pdb code 4brl). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 2 binding sites of Vanadium where determined in the Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate, PDB code: 4brl:
Jump to Vanadium binding site number: 1; 2;

Vanadium binding site 1 out of 2 in 4brl

Go back to Vanadium Binding Sites List in 4brl
Vanadium binding site 1 out of 2 in the Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:V1395

b:16.6
occ:1.00
 VB A:GMV1395 0.0 16.6 1.0
O1B A:GMV1395 1.7 18.1 1.0
O2B A:GMV1395 1.7 19.9 1.0
O3B A:GMV1395 1.9 15.6 1.0
O3A A:GMV1395 2.0 16.1 1.0
O4B A:GMV1395 2.2 15.9 1.0
PA A:GMV1395 3.3 15.4 1.0
O2A A:GMV1395 3.6 14.7 1.0
MG A:MG1396 3.6 16.1 1.0
OG1 A:THR118 3.7 20.3 1.0
O A:HOH2006 3.8 13.9 1.0
O A:HOH2106 3.9 15.9 1.0
OG A:SER52 3.9 18.4 1.0
N A:GLY189 3.9 13.1 1.0
N A:SER52 4.0 15.1 1.0
OE2 A:GLU159 4.1 15.0 1.0
CA A:GLY188 4.1 13.4 1.0
O5' A:GMV1395 4.1 15.4 1.0
N A:ALA119 4.2 13.9 1.0
CB A:ALA119 4.2 14.2 1.0
CB A:SER52 4.2 14.0 1.0
N A:ALA190 4.3 13.1 1.0
OG A:SER191 4.3 14.9 1.0
O1A A:GMV1395 4.4 18.6 1.0
O A:HOH2105 4.5 14.7 1.0
N A:SER191 4.5 11.9 1.0
C A:GLY188 4.5 13.3 1.0
CB A:THR118 4.6 17.0 1.0
CA A:GLY51 4.7 14.0 1.0
O A:SER191 4.7 14.4 1.0
O A:HOH2117 4.7 15.6 1.0
CA A:ALA119 4.8 12.4 1.0
CA A:SER52 4.8 16.7 1.0
C A:GLY51 4.9 15.6 1.0
CA A:GLY189 4.9 12.3 1.0

Vanadium binding site 2 out of 2 in 4brl

Go back to Vanadium Binding Sites List in 4brl
Vanadium binding site 2 out of 2 in the Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Legionella Pneumophila NTPDASE1 Crystal Form III (Closed) in Complex with Transition State Mimic Guanosine 5'-Phosphovanadate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:V1396

b:19.0
occ:1.00
 VB B:GMV1396 0.0 19.0 1.0
O1B B:GMV1396 1.6 17.3 1.0
O2B B:GMV1396 1.7 23.4 1.0
O3B B:GMV1396 1.9 19.2 1.0
O3A B:GMV1396 2.0 18.8 1.0
O4B B:GMV1396 2.2 20.6 1.0
PA B:GMV1396 3.4 18.0 1.0
MG B:MG1397 3.6 17.5 1.0
O2A B:GMV1396 3.6 19.0 1.0
OG1 B:THR118 3.6 21.3 1.0
O B:HOH2090 3.8 19.3 1.0
O B:HOH2004 3.9 15.7 1.0
OG B:SER52 3.9 17.8 1.0
N B:GLY189 4.0 14.8 1.0
CB B:ALA119 4.0 16.9 1.0
N B:SER52 4.1 14.9 1.0
OE2 B:GLU159 4.1 16.7 1.0
CA B:GLY188 4.2 14.0 1.0
O5' B:GMV1396 4.2 19.6 1.0
N B:ALA119 4.2 15.3 1.0
CB B:SER52 4.2 17.4 1.0
OG B:SER191 4.3 14.3 1.0
N B:ALA190 4.3 13.6 1.0
N B:SER191 4.4 13.8 1.0
O1A B:GMV1396 4.4 22.6 1.0
O B:HOH2091 4.5 17.0 1.0
CB B:THR118 4.5 18.3 1.0
C B:GLY188 4.5 14.6 1.0
O B:SER191 4.7 15.2 1.0
CA B:ALA119 4.7 13.8 1.0
O B:HOH2105 4.7 18.1 1.0
CA B:GLY51 4.7 15.8 1.0
CA B:SER52 4.8 16.7 1.0
CA B:GLY189 4.9 14.2 1.0
C B:GLY51 5.0 18.5 1.0
N B:GLY120 5.0 16.1 1.0

Reference:

M.Zebisch, M.Krauss, P.Schaefer, P.Lauble, N.Straeter. Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure V. 21 1460 2013.
ISSN: ISSN 0969-2126
PubMed: 23830739
DOI: 10.1016/J.STR.2013.05.016
Page generated: Fri Oct 11 19:32:45 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy