Zinc in PDB 9mux: Structure of UBR1-Rwa Complex

All present enzymatic activity of Structure of UBR1-Rwa Complex:
2.3.2.27;

The structure of Structure of UBR1-Rwa Complex, PDB code: 9mux was solved by S.Huang, J.Wu, S.Taylor, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.25 / 1.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	27.091, 43.809, 27.085, 90, 111.27, 90
R / Rfree (%)	14.2 / 15.1

The binding sites of Zinc atom in the Structure of UBR1-Rwa Complex (pdb code 9mux). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of UBR1-Rwa Complex, PDB code: 9mux:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Structure of UBR1-Rwa Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of UBR1-Rwa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:6.4 occ:1.00 SG A:CYS99 2.3 7.9 1.0 SG A:CYS149 2.3 5.9 1.0 SG A:CYS124 2.3 6.2 1.0 SG A:CYS127 2.4 6.3 1.0 CB A:CYS99 3.1 7.7 1.0 CB A:CYS149 3.2 5.7 1.0 CB A:CYS127 3.3 5.8 1.0 CB A:CYS124 3.5 7.8 1.0 N A:CYS124 3.9 5.3 1.0 CB A:CYS151 4.2 5.7 1.0 CA A:CYS124 4.2 5.7 1.0 N A:CYS127 4.3 6.5 1.0 CA A:CYS127 4.4 6.3 1.0 ZN A:ZN202 4.4 6.3 1.0 O A:HOH371 4.5 26.4 1.0 CA A:CYS99 4.5 8.9 1.0 CB A:ARG101 4.5 12.3 1.0 O A:HOH357 4.6 19.9 1.0 CA A:CYS149 4.6 5.0 1.0 CE1 A:HIS166 4.8 8.7 1.0 C A:CYS124 4.9 6.2 1.0 N A:ARG101 4.9 12.3 1.0 O A:CYS124 4.9 6.0 1.0

Zinc binding site 2 out of 3 in the Structure of UBR1-Rwa Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of UBR1-Rwa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn202 b:6.3 occ:1.00 ND1 A:HIS166 2.1 6.4 1.0 SG A:CYS151 2.3 6.3 1.0 SG A:CYS163 2.3 6.5 1.0 SG A:CYS127 2.4 6.3 1.0 CE1 A:HIS166 3.0 8.7 1.0 CG A:HIS166 3.1 7.0 1.0 CB A:CYS151 3.2 5.7 1.0 CB A:CYS127 3.3 5.8 1.0 CB A:CYS163 3.4 6.6 1.0 CB A:HIS166 3.5 8.2 1.0 CA A:CYS127 4.0 6.3 1.0 N A:CYS163 4.0 7.0 1.0 O A:HOH338 4.1 9.9 1.0 NE2 A:HIS166 4.1 10.3 1.0 CD2 A:HIS166 4.2 9.6 1.0 O A:HOH315 4.2 15.8 1.0 CB A:CYS99 4.2 7.7 1.0 CA A:CYS163 4.3 7.1 1.0 ZN A:ZN201 4.4 6.4 1.0 N A:HIS166 4.4 7.8 1.0 CA A:HIS166 4.6 7.5 1.0 CA A:CYS151 4.7 5.4 1.0 C A:CYS163 4.8 6.5 1.0 O A:CYS163 4.9 7.8 1.0 N A:CYS127 4.9 6.5 1.0

Zinc binding site 3 out of 3 in the Structure of UBR1-Rwa Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of UBR1-Rwa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn203 b:6.5 occ:1.00 ND1 A:HIS136 2.0 8.2 1.0 ND1 A:HIS133 2.1 4.8 1.0 SG A:CYS112 2.3 6.3 1.0 SG A:CYS115 2.3 7.4 1.0 CE1 A:HIS136 2.9 8.3 1.0 CE1 A:HIS133 2.9 7.0 1.0 CG A:HIS136 3.1 6.1 1.0 CB A:CYS115 3.2 6.6 1.0 CG A:HIS133 3.2 4.9 1.0 CB A:CYS112 3.4 6.4 1.0 CB A:HIS136 3.5 7.2 1.0 CB A:HIS133 3.6 4.6 1.0 CA A:HIS133 3.9 5.4 1.0 N A:CYS115 3.9 6.1 1.0 NE2 A:HIS136 4.1 7.4 1.0 NE2 A:HIS133 4.1 6.4 1.0 CA A:CYS115 4.2 6.2 1.0 CD2 A:HIS136 4.2 7.2 1.0 CD2 A:HIS133 4.2 5.2 1.0 CB A:ASP114 4.4 8.8 1.0 N A:HIS133 4.6 5.2 1.0 C A:ASP114 4.6 8.0 1.0 CA A:CYS112 4.7 6.7 1.0 CG1 A:VAL132 4.8 6.8 1.0 CA A:ASP114 4.9 9.0 1.0 OG1 A:THR159 5.0 18.7 1.0 C A:HIS133 5.0 5.9 1.0 O A:HIS133 5.0 6.1 1.0

S.Huang, J.Wu, S.Taylor, Y.Chen, D.Chen, T.Ren, N.Thomas, B.Sankaran, R.Jones. Structural Flexibility and Selectivity of N-End Rule Ligases To Be Published.