Atomistry » Molybdenum » PDB 3fc4-4c7z » 4brf
Atomistry »
  Molybdenum »
    PDB 3fc4-4c7z »
      4brf »

Molybdenum in PDB 4brf: Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp

Enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp

All present enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp:
3.6.1.5;

Protein crystallography data

The structure of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp, PDB code: 4brf 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) 29.87 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 62.144, 85.970, 71.888, 90.00, 106.14, 90.00
R / Rfree (%) 12.546 / 18.43

Other elements in 4brf:

The structure of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms
Chlorine (Cl) 2 atoms
Sodium (Na) 1 atom

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp (pdb code 4brf). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 4 binding sites of Molybdenum where determined in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp, PDB code: 4brf:
Jump to Molybdenum binding site number: 1; 2; 3; 4;

Molybdenum binding site 1 out of 4 in 4brf

Go back to Molybdenum Binding Sites List in 4brf
Molybdenum binding site 1 out of 4 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1395

b:13.8
occ:1.00
 MO A:MOO1395 0.0 13.8 1.0
O1 A:MOO1395 1.7 11.9 1.0
O2 A:MOO1395 1.7 12.7 1.0
O4 A:MOO1395 1.8 13.9 1.0
O3 A:MOO1395 1.8 12.9 1.0
O A:HOH2074 2.6 14.1 1.0
MG A:MG1396 3.6 13.7 1.0
OG1 A:THR118 3.7 12.8 1.0
O A:HOH2122 3.8 11.8 1.0
O A:HOH2298 3.8 14.3 1.0
N A:GLY189 3.8 11.1 1.0
N A:SER52 3.9 13.2 1.0
OG A:SER52 3.9 15.7 1.0
O A:HOH2011 4.1 12.9 1.0
CA A:GLY188 4.1 12.8 1.0
N A:ALA190 4.1 10.3 1.0
CB A:SER52 4.2 12.0 1.0
CB A:ALA119 4.3 11.9 1.0
N A:ALA119 4.3 11.9 1.0
C A:GLY188 4.4 11.1 1.0
OE2 A:GLU159 4.4 14.3 1.0
N A:SER191 4.5 11.1 1.0
OG A:SER191 4.5 11.3 1.0
CA A:GLY51 4.6 13.3 1.0
O A:HOH2134 4.6 12.3 1.0
O A:HOH2123 4.6 12.3 1.0
CB A:THR118 4.7 11.2 1.0
CA A:GLY189 4.7 9.9 1.0
CA A:SER52 4.7 13.9 1.0
C A:GLY51 4.8 14.0 1.0
CA A:ALA119 4.8 11.9 1.0
O A:SER191 4.8 11.6 1.0
CB A:ALA190 4.9 13.6 1.0
N A:GLY120 4.9 12.2 1.0
CA A:ALA190 4.9 9.7 1.0
C A:GLY189 5.0 11.1 1.0

Molybdenum binding site 2 out of 4 in 4brf

Go back to Molybdenum Binding Sites List in 4brf
Molybdenum binding site 2 out of 4 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1401

b:22.5
occ:0.70
 MO1 A:M271401 0.0 22.5 0.7
O1 A:M271401 1.7 26.3 0.7
O7 A:M271401 1.7 23.4 0.7
O2 A:EDO1402 2.0 21.3 0.7
O2 A:M271401 2.0 21.2 0.7
O1 A:EDO1402 2.2 24.0 0.7
OE1 A:GLN143 2.8 30.0 1.0
C2 A:EDO1402 3.2 22.0 0.7
MO2 A:M271401 3.2 23.3 0.7
C1 A:EDO1402 3.3 27.0 0.7
CD A:GLN143 3.8 27.4 1.0
CB A:GLN145 4.0 26.3 1.0
N A:GLN145 4.0 21.5 1.0
CB A:GLN143 4.1 24.4 1.0
N A:SER144 4.1 25.7 1.0
ND1 A:HIS109 4.1 25.7 1.0
O3 A:M271401 4.1 26.2 0.7
CG A:GLN145 4.3 34.6 1.0
CD1 A:TRP146 4.3 20.2 1.0
CA A:GLN143 4.3 29.7 1.0
O4 A:M271401 4.4 18.5 0.7
O8 A:M271401 4.5 28.3 0.7
OG A:SER144 4.5 30.0 1.0
CG A:GLN143 4.5 24.9 1.0
CA A:GLN145 4.6 23.7 1.0
C A:GLN143 4.7 27.1 1.0
NE2 A:GLN143 4.7 30.6 1.0
NE1 A:TRP146 4.7 21.0 1.0
N A:TRP146 4.7 18.8 1.0
CB A:HIS109 4.8 18.0 1.0
CG A:HIS109 4.9 19.8 1.0
C A:SER144 4.9 23.1 1.0

Molybdenum binding site 3 out of 4 in 4brf

Go back to Molybdenum Binding Sites List in 4brf
Molybdenum binding site 3 out of 4 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo1401

b:23.3
occ:0.70
 MO2 A:M271401 0.0 23.3 0.7
O3 A:M271401 1.7 26.2 0.7
O8 A:M271401 1.7 28.3 0.7
O4 A:M271401 1.7 18.5 0.7
O2 A:M271401 2.1 21.2 0.7
O1 A:EDO1402 2.4 24.0 0.7
OE1 A:GLN143 2.4 30.0 1.0
MO1 A:M271401 3.2 22.5 0.7
CD A:GLN143 3.4 27.4 1.0
C1 A:EDO1402 3.6 27.0 0.7
NE2 A:GLN143 3.6 30.6 1.0
ND1 A:HIS109 3.9 25.7 1.0
NE1 A:TRP146 4.0 21.0 1.0
CE1 A:HIS109 4.0 29.0 1.0
O A:HOH2067 4.2 37.4 1.0
CD1 A:TRP146 4.3 20.2 1.0
O1 A:M271401 4.3 26.3 0.7
O7 A:M271401 4.3 23.4 0.7
O2 A:EDO1402 4.4 21.3 0.7
CA A:ALA104 4.4 22.6 1.0
CH2 A:TRP139 4.5 19.9 1.0
CB A:ALA104 4.6 25.9 1.0
C2 A:EDO1402 4.7 22.0 0.7
CG A:GLN143 4.8 24.9 1.0
CZ2 A:TRP139 4.8 22.2 1.0

Molybdenum binding site 4 out of 4 in 4brf

Go back to Molybdenum Binding Sites List in 4brf
Molybdenum binding site 4 out of 4 in the Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Legionella Pneumophila NTPDASE1 Crystal Form II (Closed) in Complex with A Distorted Orthomolybdate Ion and Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo1396

b:13.4
occ:1.00
 MO B:MOO1396 0.0 13.4 1.0
O2 B:MOO1396 1.8 13.2 1.0
O1 B:MOO1396 1.8 12.7 1.0
O4 B:MOO1396 1.8 14.2 1.0
O3 B:MOO1396 1.9 16.4 1.0
O B:HOH2069 2.6 11.8 1.0
MG B:MG1397 3.7 14.1 1.0
OG1 B:THR118 3.7 11.9 1.0
O B:HOH2112 3.7 13.4 1.0
N B:GLY189 3.8 11.9 1.0
O B:HOH2241 3.8 14.5 1.0
N B:SER52 3.9 13.2 1.0
OG B:SER52 3.9 15.6 1.0
O B:HOH2007 4.1 13.1 1.0
N B:ALA190 4.1 10.2 1.0
CA B:GLY188 4.1 12.5 1.0
CB B:ALA119 4.2 10.2 1.0
O B:HOH2016 4.2 27.2 1.0
CB B:SER52 4.2 14.6 1.0
N B:ALA119 4.3 10.4 1.0
C B:GLY188 4.4 9.4 1.0
OE2 B:GLU159 4.4 14.0 1.0
N B:SER191 4.5 10.5 1.0
CA B:GLY51 4.5 12.4 1.0
OG B:SER191 4.6 10.8 1.0
O B:HOH2113 4.6 11.8 1.0
CB B:THR118 4.6 9.0 1.0
O B:HOH2120 4.7 13.5 1.0
CA B:SER52 4.7 12.8 1.0
C B:GLY51 4.7 11.1 1.0
CA B:GLY189 4.7 12.2 1.0
CA B:ALA119 4.8 10.2 1.0
O B:SER191 4.8 11.1 1.0
CB B:ALA190 4.9 14.3 1.0
N B:GLY120 4.9 11.8 1.0
CA B:ALA190 4.9 10.9 1.0
C B:GLY189 5.0 10.2 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: Sun Oct 6 15:59:18 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