Zinc in PDB 6c4v: 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis

The structure of 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis, PDB code: 6c4v was solved by G.Minasov, J.S.Brunzelle, L.Shuvalova, I.Dubrovska, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.09 / 1.90
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.189, 58.189, 101.683, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 21.7

The binding sites of Zinc atom in the 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis (pdb code 6c4v). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis, PDB code: 6c4v:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1501 b:47.3 occ:1.00 OD2 A:ASP1372 1.9 46.2 1.0 CG A:ASP1372 2.7 46.6 1.0 OD1 A:ASP1372 2.8 44.5 1.0 O A:HOH1633 4.1 52.7 1.0 CB A:ASP1372 4.2 47.7 1.0 ND2 A:ASN1400 4.4 41.8 1.0 CA A:GLY1396 4.7 38.0 1.0 O A:GLY1396 4.9 40.2 1.0 C A:GLY1396 5.0 38.6 1.0

Zinc binding site 2 out of 3 in the 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1502 b:59.4 occ:0.50 ZN A:ZN1502 0.0 59.4 0.5 ZN A:ZN1502 1.5 61.2 0.5 OE1 A:GLU1437 1.8 57.5 1.0 OD2 A:ASP1441 2.3 51.9 1.0 OD1 A:ASP1441 2.6 52.8 1.0 CG A:ASP1441 2.8 48.3 1.0 CD A:GLU1437 2.9 51.1 1.0 OE2 A:GLU1437 3.4 53.8 1.0 O A:HOH1613 3.7 49.3 0.5 O A:HOH1617 4.1 45.7 1.0 CG A:GLU1437 4.2 48.6 1.0 CB A:ASP1441 4.3 42.4 1.0 O A:GLU1437 4.6 37.8 1.0 NH1 A:ARG1444 4.6 45.9 1.0

Zinc binding site 3 out of 3 in the 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1502 b:61.2 occ:0.50 ZN A:ZN1502 0.0 61.2 0.5 ZN A:ZN1502 1.5 59.4 0.5 OD2 A:ASP1441 2.0 51.9 1.0 O A:HOH1613 2.2 49.3 0.5 OE1 A:GLU1437 2.2 57.5 1.0 OE2 A:GLU1437 2.7 53.8 1.0 CD A:GLU1437 2.8 51.1 1.0 CG A:ASP1441 3.1 48.3 1.0 OD1 A:ASP1441 3.5 52.8 1.0 CG A:GLU1437 4.3 48.6 1.0 CB A:ASP1441 4.4 42.4 1.0 O A:GLU1437 4.6 37.8 1.0 C A:GLU1437 5.0 37.1 1.0 O A:HOH1617 5.0 45.7 1.0

G.Minasov, J.S.Brunzelle, L.Shuvalova, I.Dubrovska, O.Kiryukhina, S.Grimshaw, K.Kwon, W.F.Anderson, K.J.F.Satchell, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (Residues 1350-1461) of Polyketide Synthase PKS13 From Mycobacterium Tuberculosis. To Be Published.