Zinc in PDB 3h50: Crystal Structure of A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution

The structure of Crystal Structure of A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution, PDB code: 3h50 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.50 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	48.920, 72.030, 32.750, 90.00, 110.76, 90.00
R / Rfree (%)	18.2 / 22

The binding sites of Zinc atom in the Crystal Structure of A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution (pdb code 3h50). 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 A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution, PDB code: 3h50:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution


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 A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn114 b:12.3 occ:1.00 NE2 A:HIS41 2.0 3.5 1.0 OE1 A:GLN46 2.1 8.6 1.0 O A:ACT118 2.2 12.7 1.0 NE2 A:HIS80 2.2 6.1 1.0 OXT A:ACT118 2.2 13.3 1.0 O A:HOH181 2.3 10.1 1.0 C A:ACT118 2.6 12.9 1.0 CE1 A:HIS41 3.0 5.4 1.0 CD2 A:HIS41 3.0 6.2 1.0 CD A:GLN46 3.0 8.3 1.0 CD2 A:HIS80 3.1 7.4 1.0 CE1 A:HIS80 3.2 7.0 1.0 NE2 A:GLN46 3.4 7.5 1.0 CH3 A:ACT118 4.1 13.8 1.0 ND1 A:HIS41 4.1 6.9 1.0 ND2 A:ASN39 4.1 8.8 1.0 CG A:HIS41 4.1 6.0 1.0 ND1 A:HIS80 4.3 6.0 1.0 CG A:HIS80 4.3 6.7 1.0 O A:HOH220 4.3 19.1 1.0 O A:HOH219 4.4 26.8 1.0 CG A:GLN46 4.4 7.5 1.0 CE2 A:TYR96 4.4 8.8 1.0 OH A:TYR96 4.5 9.1 1.0 OH A:TYR101 4.6 11.3 1.0 CB A:GLN46 4.7 6.5 1.0 CZ A:TYR96 5.0 9.2 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution


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 A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn115 b:17.3 occ:1.00 OD2 A:ASP38 1.9 7.8 1.0 CG A:ASP38 2.7 8.1 1.0 OD1 A:ASP38 2.9 8.4 1.0 O A:HOH164 3.8 21.3 1.0 O A:HOH156 4.1 30.0 1.0 CB A:ASP38 4.2 8.0 1.0 CG A:PRO37 4.2 7.9 1.0 CB A:PRO37 4.7 7.2 1.0 N A:ASP38 4.8 7.9 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution


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 A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn116 b:19.5 occ:1.00 OE2 A:GLU75 2.1 8.0 1.0 OXT A:ACT119 2.1 25.0 1.0 CD A:GLU75 2.7 8.7 1.0 OE1 A:GLU75 2.7 10.5 1.0 C A:ACT119 2.9 26.6 1.0 CH3 A:ACT119 3.2 26.8 1.0 O A:HOH146 3.9 31.2 1.0 O A:ACT119 4.0 28.5 1.0 CG A:GLU75 4.1 8.3 1.0 O A:HOH153 4.6 25.7 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution


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 A Tetracenomycin Polyketide Synthesis Protein (Tcmj) From Xanthomonas Campestris Pv. Campestris at 1.60 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn117 b:18.8 occ:0.50 NE2 A:HIS97 2.3 8.5 1.0 CD2 A:HIS97 3.1 9.1 1.0 CE1 A:HIS97 3.3 8.8 1.0 O A:HOH269 4.3 36.3 1.0 CG A:HIS97 4.3 8.1 1.0 ND1 A:HIS97 4.3 9.5 1.0 O A:HOH185 4.7 21.9 1.0 O A:GLN20 4.8 8.4 1.0 CB A:GLN20 4.8 8.8 1.0 O A:ARG19 4.9 11.2 1.0

H.L.Axelrod, P.Kozbial, D.Mcmullan, S.S.Krishna, M.D.Miller, P.Abdubek, C.Acosta, T.Astakhova, D.Carlton, J.Caruthers, H.J.Chiu, T.Clayton, M.C.Deller, L.Duan, Y.Elias, J.Feuerhelm, S.K.Grzechnik, J.C.Grant, G.W.Han, L.Jaroszewski, K.K.Jin, H.E.Klock, M.W.Knuth, A.Kumar, D.Marciano, A.T.Morse, K.D.Murphy, E.Nigoghossian, L.Okach, S.Oommachen, J.Paulsen, R.Reyes, C.L.Rife, H.J.Tien, C.V.Trout, H.Van Den Bedem, D.Weekes, A.White, Q.Xu, C.Zubieta, K.O.Hodgson, J.Wooley, M.A.Elsliger, A.M.Deacon, A.Godzik, S.A.Lesley, I.A.Wilson. Conformational Changes Associated with the Binding of Zinc Acetate at the Putative Active Site of Xctcmj, A Cupin From Xanthomonas Campestris Pv. Campestris. Acta Crystallogr.,Sect.F V. 66 1347 2010.
ISSN: ESSN 1744-3091
PubMed: 20944231
DOI: 10.1107/S1744309109021988