Arsenic in PDB 5o3x: Structural Characterization of the Fast and Promiscuous Macrocyclase From Plant - Apo PCY1

The structure of Structural Characterization of the Fast and Promiscuous Macrocyclase From Plant - Apo PCY1, PDB code: 5o3x was solved by H.Ludewig, C.M.Czekster, A.F.Bent, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.95 / 2.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	275.580, 60.850, 88.040, 90.00, 92.65, 90.00
R / Rfree (%)	21.7 / 26.3

The binding sites of Arsenic atom in the Structural Characterization of the Fast and Promiscuous Macrocyclase From Plant - Apo PCY1 (pdb code 5o3x). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Structural Characterization of the Fast and Promiscuous Macrocyclase From Plant - Apo PCY1, PDB code: 5o3x:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Structural Characterization of the Fast and Promiscuous Macrocyclase From Plant - Apo PCY1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structural Characterization of the Fast and Promiscuous Macrocyclase From Plant - Apo PCY1 within 5.0Å range: probe atom residue distance (Å) B Occ A:As801 b:54.3 occ:1.00 AS A:CAC801 0.0 54.3 1.0 O2 A:CAC801 1.7 48.8 1.0 O1 A:CAC801 1.7 52.5 1.0 C2 A:CAC801 2.0 51.6 1.0 C1 A:CAC801 2.0 55.5 1.0 OH A:TYR481 3.7 48.0 1.0 CB A:SER562 3.8 58.7 1.0 O A:HOH956 4.1 53.2 1.0 N A:ASN563 4.1 56.4 1.0 CE2 A:PHE484 4.4 44.6 1.0 NE1 A:TRP603 4.4 51.6 1.0 CB A:ASN563 4.5 56.6 1.0 CE2 A:TRP603 4.5 51.6 1.0 OG A:SER562 4.5 58.7 1.0 CZ A:PHE484 4.6 45.0 1.0 CZ2 A:TRP603 4.6 51.7 1.0 CD2 A:PHE484 4.7 45.0 1.0 CZ A:TYR481 4.8 47.6 1.0 C A:SER562 4.9 57.4 1.0 CA A:ASN563 4.9 56.6 1.0 CA A:SER562 4.9 58.0 1.0 CD1 A:TRP603 4.9 52.0 1.0 CG2 A:VAL656 4.9 55.6 1.0

Arsenic binding site 2 out of 2 in the Structural Characterization of the Fast and Promiscuous Macrocyclase From Plant - Apo PCY1


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structural Characterization of the Fast and Promiscuous Macrocyclase From Plant - Apo PCY1 within 5.0Å range: probe atom residue distance (Å) B Occ B:As801 b:64.4 occ:1.00 AS B:CAC801 0.0 64.4 1.0 O2 B:CAC801 1.7 66.9 1.0 O1 B:CAC801 1.7 68.3 1.0 C2 B:CAC801 2.0 65.2 1.0 C1 B:CAC801 2.0 67.8 1.0 OH B:TYR481 3.7 46.2 1.0 CB B:SER562 3.9 52.2 1.0 N B:ASN563 4.3 49.1 1.0 NE1 B:TRP603 4.3 63.1 1.0 NH2 B:ARG655 4.4 91.4 1.0 CE2 B:TRP603 4.4 63.4 1.0 CE2 B:PHE484 4.4 52.4 1.0 CZ B:ARG655 4.5 89.4 1.0 CZ B:PHE484 4.5 54.1 1.0 OG B:SER562 4.6 52.8 1.0 CB B:ASN563 4.6 46.8 1.0 CZ2 B:TRP603 4.6 63.9 1.0 CD2 B:PHE484 4.8 51.8 1.0 CD1 B:TRP603 4.8 62.6 1.0 NE B:ARG655 4.9 89.0 1.0 CZ B:TYR481 4.9 45.1 1.0 NH1 B:ARG655 4.9 88.4 1.0 CD2 B:TRP603 5.0 63.0 1.0

H.Ludewig, C.M.Czekster, E.Oueis, E.S.Munday, M.Arshad, S.A.Synowsky, A.F.Bent, J.H.Naismith. Characterization of the Fast and Promiscuous Macrocyclase From Plant PCY1 Enables the Use of Simple Substrates. Acs Chem. Biol. V. 13 801 2018.
ISSN: ESSN 1554-8937
PubMed: 29377663
DOI: 10.1021/ACSCHEMBIO.8B00050