Zinc in PDB 3h9q: Crystal Structure of E. Coli Mccb + Semet Mcca

The structure of Crystal Structure of E. Coli Mccb + Semet Mcca, PDB code: 3h9q was solved by C.A.Regni, R.F.Roush, D.Miller, A.Nourse, C.T.Walsh, B.A.Schulman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.63
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.300, 138.597, 81.375, 90.00, 92.06, 90.00
R / Rfree (%)	20.7 / 27.3

The binding sites of Zinc atom in the Crystal Structure of E. Coli Mccb + Semet Mcca (pdb code 3h9q). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of E. Coli Mccb + Semet Mcca, PDB code: 3h9q:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of E. Coli Mccb + Semet Mcca


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of E. Coli Mccb + Semet Mcca within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:74.8 occ:1.00 SG A:CYS260 2.3 57.7 1.0 SG A:CYS346 2.4 74.0 1.0 SG A:CYS343 2.5 72.5 1.0 SG A:CYS257 2.6 58.3 1.0 CB A:CYS343 3.2 73.4 1.0 CB A:CYS257 3.6 56.5 1.0 CB A:CYS346 3.8 75.2 1.0 CB A:CYS260 3.9 61.3 1.0 N A:CYS346 3.9 73.7 1.0 N A:CYS257 4.0 57.6 1.0 CA A:CYS346 4.3 75.1 1.0 CA A:CYS260 4.3 62.6 1.0 CA A:CYS257 4.3 58.1 1.0 N A:CYS260 4.4 62.9 1.0 C A:CYS346 4.5 76.0 1.0 CA A:CYS343 4.7 72.8 1.0 O A:SER340 4.8 66.1 1.0 O A:CYS346 4.8 76.2 1.0 CB A:VAL345 4.8 72.7 1.0 N A:GLY347 4.8 76.8 1.0 C A:CYS257 4.9 58.1 1.0 C A:VAL345 4.9 73.1 1.0 O A:CYS257 4.9 58.6 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of E. Coli Mccb + Semet Mcca


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of E. Coli Mccb + Semet Mcca within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn500 b:98.9 occ:1.00 SG B:CYS257 2.6 85.9 1.0 SG B:CYS343 2.8 0.1 1.0 SG B:CYS260 2.9 94.7 1.0 SG B:CYS346 3.0 97.2 1.0 N B:CYS260 3.5 95.5 1.0 CB B:CYS343 3.7 0.8 1.0 CB B:GLU259 3.7 96.1 1.0 C B:GLU259 4.0 95.5 1.0 CA B:CYS260 4.0 95.8 1.0 CB B:CYS260 4.1 95.8 1.0 N B:CYS257 4.1 84.3 1.0 CB B:CYS257 4.2 86.6 1.0 CA B:GLU259 4.2 95.6 1.0 N B:GLU259 4.2 95.6 1.0 N B:CYS346 4.4 0.3 1.0 CA B:CYS257 4.5 87.1 1.0 CB B:CYS346 4.5 0.8 1.0 O B:CYS257 4.6 88.5 1.0 C B:CYS257 4.6 88.9 1.0 CG B:GLU259 4.7 97.0 1.0 O B:CYS346 4.7 1.0 1.0 O B:GLU259 4.7 95.0 1.0 CB B:VAL345 4.8 0.3 1.0 CA B:CYS346 4.8 0.8 1.0 OD1 B:ASN224 4.8 72.8 1.0 C B:CYS346 4.9 0.1 1.0 O B:SER340 5.0 94.7 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of E. Coli Mccb + Semet Mcca


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of E. Coli Mccb + Semet Mcca within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn500 b:45.1 occ:1.00 SG C:CYS257 2.4 43.5 1.0 SG C:CYS346 2.4 50.9 1.0 SG C:CYS343 2.5 53.3 1.0 SG C:CYS260 2.6 52.9 1.0 CB C:CYS257 3.2 40.7 1.0 CB C:CYS343 3.3 54.9 1.0 CB C:CYS346 3.4 54.5 1.0 N C:CYS260 3.6 51.6 1.0 CB C:CYS260 3.6 53.3 1.0 N C:CYS257 3.7 38.3 1.0 CA C:CYS260 3.7 52.1 1.0 N C:CYS346 3.8 53.9 1.0 CA C:CYS257 3.9 39.8 1.0 CA C:CYS346 4.1 55.2 1.0 O C:CYS257 4.4 40.5 1.0 C C:CYS257 4.4 41.0 1.0 C C:GLU259 4.4 50.3 1.0 C C:CYS346 4.7 57.1 1.0 C C:GLY256 4.8 39.5 1.0 CA C:CYS343 4.8 54.0 1.0 CB C:VAL345 4.8 53.0 1.0 C C:VAL345 4.9 54.3 1.0 N C:GLU259 4.9 47.2 1.0 O C:HOH391 4.9 46.7 1.0 N C:GLY347 5.0 60.8 1.0 CA C:GLU259 5.0 49.4 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of E. Coli Mccb + Semet Mcca


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of E. Coli Mccb + Semet Mcca within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn500 b:0.5 occ:1.00 SG D:CYS343 2.7 98.5 1.0 SG D:CYS346 2.7 74.6 1.0 SG D:CYS260 2.7 71.1 1.0 SG D:CYS257 3.1 78.0 1.0 N D:CYS260 3.2 70.5 1.0 CB D:CYS257 3.3 77.2 1.0 CB D:CYS343 3.3 96.7 1.0 CA D:CYS260 3.7 70.1 1.0 CB D:CYS260 3.7 70.4 1.0 N D:CYS257 4.0 76.5 1.0 CA D:CYS257 4.0 76.6 1.0 C D:GLU259 4.0 71.8 1.0 CB D:GLU259 4.1 74.7 1.0 CB D:CYS346 4.2 84.4 1.0 O D:CYS257 4.2 76.3 1.0 C D:CYS257 4.2 76.0 1.0 N D:CYS346 4.3 87.6 1.0 N D:GLU259 4.3 73.6 1.0 CA D:GLU259 4.3 73.2 1.0 CB D:VAL345 4.7 89.5 1.0 CA D:CYS346 4.8 86.2 1.0 CA D:CYS343 4.8 96.0 1.0 N D:GLY347 4.9 87.1 1.0 O D:GLU259 5.0 70.5 1.0

C.A.Regni, R.F.Roush, D.J.Miller, A.Nourse, C.T.Walsh, B.A.Schulman. How the Mccb Bacterial Ancestor of Ubiquitin E1 Initiates Biosynthesis of the Microcin C7 Antibiotic. Embo J. V. 28 1953 2009.
ISSN: ISSN 0261-4189
PubMed: 19494832
DOI: 10.1038/EMBOJ.2009.146