Zinc in PDB 8stb: The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx

The structure of The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx, PDB code: 8stb was solved by Z.Luo, X.Jia, X.Yan, X.Qu, B.Kobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.18 / 2.22
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.029, 76.029, 166.752, 90, 90, 90
R / Rfree (%)	20.1 / 23.4

The structure of The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx (pdb code 8stb). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx, PDB code: 8stb:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:105.8 occ:1.00 HH12 A:ARG111 2.2 75.2 1.0 HH11 A:ARG111 2.4 75.2 1.0 NH1 A:ARG111 2.7 62.6 1.0 H12 A:GOL301 3.5 57.3 1.0 OD1 B:ASN57 3.5 64.1 1.0 O3 A:GOL301 3.9 46.1 1.0 O A:GLY63 4.0 46.2 1.0 CZ A:ARG111 4.0 63.3 1.0 HD2 A:ARG111 4.1 63.9 1.0 H32 A:GOL301 4.1 53.3 1.0 HD2 B:PRO58 4.1 71.7 1.0 OG A:SER66 4.2 40.5 1.0 HB3 A:LEU62 4.2 59.9 1.0 O A:TRP65 4.2 36.9 1.0 H11 A:GOL301 4.2 57.3 1.0 HB2 A:ARG111 4.3 46.7 1.0 C1 A:GOL301 4.3 47.7 1.0 HA3 A:GLY64 4.4 49.9 1.0 HA A:SER66 4.4 46.2 1.0 C3 A:GOL301 4.4 44.4 1.0 HH22 A:ARG111 4.5 76.5 1.0 HG A:SER66 4.6 48.6 1.0 CG B:ASN57 4.7 63.8 1.0 NH2 A:ARG111 4.7 63.6 1.0 HB2 A:LEU62 4.8 59.9 1.0 C A:TRP65 4.8 37.6 1.0 HG2 B:PRO58 4.8 65.4 1.0 O A:LEU62 4.8 56.8 1.0 O A:HOH415 4.8 36.7 1.0 NE A:ARG111 4.9 64.7 1.0 CD A:ARG111 4.9 53.2 1.0 HD21 B:ASN57 4.9 64.4 1.0 C A:GLY63 4.9 52.1 1.0 CB A:LEU62 4.9 49.8 1.0 HD13 A:LEU62 5.0 73.5 1.0 C A:GLY64 5.0 42.9 1.0 CD B:PRO58 5.0 59.7 1.0 C2 A:GOL301 5.0 47.6 1.0

Zinc binding site 2 out of 2 in the The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn304 b:88.5 occ:1.00 H A:GLY222 2.3 54.4 1.0 O A:HOH429 2.4 59.7 1.0 O A:HOH427 2.7 56.1 1.0 OE2 A:GLU224 2.7 37.9 1.0 HB1 A:ALA220 2.8 47.1 1.0 HD2 A:PRO221 2.9 54.3 1.0 N A:GLY222 3.1 45.3 1.0 HA3 A:GLY222 3.1 55.2 1.0 OE1 A:GLU224 3.4 39.1 1.0 CD A:GLU224 3.4 37.8 1.0 HB3 A:ALA220 3.4 47.1 1.0 CB A:ALA220 3.5 39.2 1.0 HA A:ALA16 3.6 69.6 1.0 CA A:GLY222 3.6 45.9 1.0 CD A:PRO221 3.8 45.2 1.0 HB2 A:PRO221 3.8 56.4 1.0 N A:PRO221 4.0 43.5 1.0 HB2 A:ALA220 4.1 47.1 1.0 C A:PRO221 4.2 44.5 1.0 HB3 A:PHE19 4.2 60.0 1.0 HA2 A:GLY222 4.3 55.2 1.0 HE2 A:TYR20 4.3 54.0 1.0 CB A:PRO221 4.4 47.0 1.0 C A:ALA220 4.4 38.5 1.0 HG2 A:PRO221 4.4 56.6 1.0 HB2 A:ALA16 4.4 66.2 1.0 CA A:PRO221 4.4 47.0 1.0 HB1 A:ALA16 4.5 66.2 1.0 CA A:ALA16 4.5 57.9 1.0 HD3 A:PRO221 4.5 54.3 1.0 CG A:PRO221 4.5 47.1 1.0 CA A:ALA220 4.6 38.9 1.0 HH A:TYR20 4.6 45.7 1.0 HB2 A:PHE19 4.6 60.0 1.0 H A:GLY223 4.6 52.0 1.0 HD2 A:PHE19 4.6 59.8 1.0 CD2 A:PHE19 4.7 49.8 1.0 C A:GLY222 4.7 46.4 1.0 CG A:PHE19 4.7 51.4 1.0 CB A:ALA16 4.7 55.1 1.0 CB A:PHE19 4.7 50.0 1.0 CE2 A:TYR20 4.8 44.9 1.0 CG A:GLU224 4.8 35.8 1.0 H A:GLU224 4.8 47.0 1.0 OH A:TYR20 4.8 38.0 1.0 HG1 A:THR10 4.9 59.2 1.0 HG2 A:GLU224 4.9 43.1 1.0 N A:GLY223 5.0 43.3 1.0

Z.Luo, X.Jia, X.Yan, X.Qu, B.Kobe. The Crystal Structure of Abxf, An Enzyme Catalyzing the Formation of the Chiral Spiroketal of An Anthrabenzoxocinone Antibiotic, (-)-Abx. To Be Published.