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Molybdenum in PDB 3rvr: Structure of the CHEYN59D/E89R Molybdate Complex

Protein crystallography data

The structure of Structure of the CHEYN59D/E89R Molybdate Complex, PDB code: 3rvr was solved by R.M.Immormino, C.A.Starbird, R.E.Silversmith, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.73 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.510, 53.630, 161.840, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 18.8

Other elements in 3rvr:

The structure of Structure of the CHEYN59D/E89R Molybdate Complex also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Structure of the CHEYN59D/E89R Molybdate Complex (pdb code 3rvr). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 2 binding sites of Molybdenum where determined in the Structure of the CHEYN59D/E89R Molybdate Complex, PDB code: 3rvr:
Jump to Molybdenum binding site number: 1; 2;

Molybdenum binding site 1 out of 2 in 3rvr

Go back to Molybdenum Binding Sites List in 3rvr
Molybdenum binding site 1 out of 2 in the Structure of the CHEYN59D/E89R Molybdate Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Structure of the CHEYN59D/E89R Molybdate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo131

b:33.4
occ:0.79
MO A:MOO131 0.0 33.4 0.8
O4 A:MOO131 1.7 25.2 0.8
O2 A:MOO131 1.8 31.4 0.8
O3 A:MOO131 1.8 23.1 0.8
O1 A:MOO131 1.8 23.7 0.8
O2 A:SO4132 2.4 29.8 0.4
OD1 A:ASP57 2.8 24.4 1.0
O3 A:SO4132 3.3 28.9 0.4
S A:SO4132 3.4 33.8 0.4
OG1 A:THR87 3.6 23.2 1.0
OD1 A:ASP59 3.7 37.2 0.5
MN A:MN130 3.7 24.6 1.0
N A:ASP59 3.8 20.9 1.0
CB A:ASP59 3.9 27.3 0.5
CG A:ASP57 3.9 22.1 1.0
CB A:ASP59 3.9 27.3 0.5
N A:ALA88 3.9 21.5 1.0
O4 A:SO4132 4.0 30.7 0.4
OD2 A:ASP57 4.2 21.8 1.0
CG A:ASP59 4.2 29.9 0.5
NZ A:LYS109 4.3 28.2 1.0
CB A:THR87 4.4 25.2 1.0
CA A:ASP59 4.4 25.2 0.5
CA A:ASP59 4.4 25.2 0.5
CA A:THR87 4.4 22.8 1.0
N A:TRP58 4.4 18.8 1.0
O A:HOH145 4.4 23.2 1.0
O A:ASP59 4.6 21.7 1.0
CB A:ALA88 4.6 27.8 1.0
O1 A:SO4132 4.6 33.8 0.4
C A:THR87 4.7 23.9 1.0
O A:HOH210 4.8 45.4 1.0
CB A:TRP58 4.8 23.2 1.0
C A:TRP58 4.8 23.0 1.0
CA A:ALA88 4.8 22.9 1.0
CA A:TRP58 4.9 21.8 1.0
C A:ASP59 5.0 26.1 1.0
O A:HOH152 5.0 23.4 1.0
CG A:ARG89 5.0 28.7 1.0

Molybdenum binding site 2 out of 2 in 3rvr

Go back to Molybdenum Binding Sites List in 3rvr
Molybdenum binding site 2 out of 2 in the Structure of the CHEYN59D/E89R Molybdate Complex


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Structure of the CHEYN59D/E89R Molybdate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mo131

b:30.8
occ:0.85
MO B:MOO131 0.0 30.8 0.8
O1 B:MOO131 1.7 33.5 0.8
O2 B:MOO131 1.8 22.2 0.8
O3 B:MOO131 1.9 26.5 0.8
O4 B:MOO131 1.9 26.0 0.8
O1 B:SO4132 2.6 28.8 0.3
OD1 B:ASP57 2.8 24.3 1.0
OG1 B:THR87 3.4 25.8 1.0
O4 B:SO4132 3.6 33.4 0.3
S B:SO4132 3.6 33.5 0.3
MN B:MN130 3.7 24.6 1.0
CG B:ASP57 3.7 22.8 1.0
N B:ASP59 3.9 24.7 1.0
N B:ALA88 3.9 25.0 1.0
CB B:ASP59 3.9 28.2 0.5
CB B:ASP59 3.9 28.2 0.5
OD2 B:ASP57 4.0 21.8 1.0
OD1 B:ASP59 4.0 35.2 0.5
O B:HOH263 4.1 44.7 1.0
NZ B:LYS109 4.1 28.5 1.0
CB B:THR87 4.3 20.4 1.0
CA B:THR87 4.3 20.4 1.0
CG B:ASP59 4.4 31.2 0.5
CA B:ASP59 4.5 27.5 0.5
O B:HOH150 4.5 21.6 1.0
CA B:ASP59 4.5 27.5 0.5
N B:TRP58 4.5 21.3 1.0
O3 B:SO4132 4.5 30.1 0.3
O B:ASP59 4.5 23.0 1.0
CB B:ALA88 4.6 29.6 1.0
C B:THR87 4.6 20.8 1.0
O2 B:SO4132 4.7 34.8 0.3
O B:HOH160 4.7 25.7 1.0
CA B:ALA88 4.8 25.5 1.0
CB B:TRP58 4.8 24.5 1.0
C B:TRP58 4.9 22.8 1.0
N B:ARG89 4.9 24.4 1.0
CA B:TRP58 5.0 22.5 1.0
CE B:LYS109 5.0 27.4 1.0
C B:ASP59 5.0 27.0 1.0
CG B:ARG89 5.0 32.9 1.0

Reference:

R.M.Immormino, C.A.Starbird, R.E.Silversmith, R.B.Bourret. Probing Mechanistic Similarities Between Response Regulator Signaling Proteins and Haloacid Dehalogenase Phosphatases. Biochemistry V. 54 3514 2015.
ISSN: ISSN 0006-2960
PubMed: 25928369
DOI: 10.1021/ACS.BIOCHEM.5B00286
Page generated: Tue Dec 15 05:18:24 2020

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