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Osmium in PDB 8uiw: Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N

Protein crystallography data

The structure of Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N, PDB code: 8uiw was solved by D.Krochmal, A.Lewicka, J.A.Piccirilli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 95.70 / 2.77
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 65.792, 77.438, 95.848, 87.19, 88.43, 88.05
R / Rfree (%) 21.1 / 23.1

Other elements in 8uiw:

The structure of Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms
Potassium (K) 1 atom

Osmium Binding Sites:

The binding sites of Osmium atom in the Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N (pdb code 8uiw). This binding sites where shown within 5.0 Angstroms radius around Osmium atom.
In total 4 binding sites of Osmium where determined in the Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N, PDB code: 8uiw:
Jump to Osmium binding site number: 1; 2; 3; 4;

Osmium binding site 1 out of 4 in 8uiw

Go back to Osmium Binding Sites List in 8uiw
Osmium binding site 1 out of 4 in the Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N


Mono view


Stereo pair view

A full contact list of Osmium with other atoms in the Os binding site number 1 of Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Os301

b:176.1
occ:0.29
CE B:LYS189 2.7 218.2 1.0
CD B:LYS189 2.9 213.6 1.0
OS B:OS302 3.4 175.5 0.3
CG B:LYS189 3.9 204.2 1.0
CE1 B:HIS190 3.9 217.3 1.0
NZ B:LYS189 4.1 202.5 1.0
ND1 B:HIS190 4.4 205.0 1.0
OD2 B:ASP186 4.4 222.4 1.0
NE2 B:HIS190 4.8 226.8 1.0

Osmium binding site 2 out of 4 in 8uiw

Go back to Osmium Binding Sites List in 8uiw
Osmium binding site 2 out of 4 in the Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N


Mono view


Stereo pair view

A full contact list of Osmium with other atoms in the Os binding site number 2 of Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Os302

b:175.5
occ:0.32
NE2 B:HIS190 3.3 226.8 1.0
OS B:OS301 3.4 176.1 0.3
CE1 B:HIS190 3.4 217.3 1.0
CB B:ALA154 3.6 209.0 1.0
CE B:LYS189 3.6 218.2 1.0
CD2 B:HIS190 4.0 221.4 1.0
NZ B:LYS189 4.2 202.5 1.0
ND1 B:HIS190 4.2 205.0 1.0
CG B:HIS190 4.5 210.3 1.0
O B:ALA154 4.6 197.0 1.0
OE1 B:GLN156 4.7 193.4 1.0
CD B:LYS189 4.9 213.6 1.0
CA B:ALA154 4.9 204.3 1.0

Osmium binding site 3 out of 4 in 8uiw

Go back to Osmium Binding Sites List in 8uiw
Osmium binding site 3 out of 4 in the Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N


Mono view


Stereo pair view

A full contact list of Osmium with other atoms in the Os binding site number 3 of Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Os302

b:144.9
occ:0.28
NE2 L:HIS190 2.3 153.3 1.0
CE1 L:HIS190 2.8 152.1 1.0
CD2 L:HIS190 3.2 149.4 1.0
ND1 L:HIS190 3.7 151.3 1.0
CG L:HIS190 4.0 147.0 1.0
CG1 L:VAL151 4.9 138.2 1.0
OE1 L:GLN156 5.0 150.4 1.0

Osmium binding site 4 out of 4 in 8uiw

Go back to Osmium Binding Sites List in 8uiw
Osmium binding site 4 out of 4 in the Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N


Mono view


Stereo pair view

A full contact list of Osmium with other atoms in the Os binding site number 4 of Yjdf Riboswitch From R. Gauvreauii in Complex with Chelerythrine Bound to Fab BL3-6 S97N within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Os303

b:162.4
occ:0.22
N L:ASP2 2.2 132.5 1.0
CA L:SER1 2.6 138.2 1.0
C L:SER1 2.8 133.3 1.0
OG L:SER1 3.2 128.7 1.0
CA L:ASP2 3.4 128.1 1.0
CB L:SER1 3.4 137.5 1.0
OD1 L:ASP2 3.5 138.4 1.0
CB L:ASP2 3.6 123.1 1.0
CG L:ASP2 3.7 132.4 1.0
N L:SER1 3.7 112.1 1.0
O L:SER1 4.0 138.1 1.0
O L:ASP2 4.2 123.2 1.0
C L:ASP2 4.3 113.6 1.0
OD2 L:ASP2 4.4 129.2 1.0

Reference:

D.Krochmal, C.Roman, A.Lewicka, Y.Shao, J.A.Piccirilli. Structural Basis For Promiscuity in Ligand Recognition By Yjdf Riboswitch Cell Discov V. 10 37 2024.
ISSN: ESSN 2056-5968
DOI: 10.1038/S41421-024-00663-2
Page generated: Thu Oct 10 09:58:47 2024

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