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

Protein crystallography data

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

Arsenic Binding Sites:

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 5o3x

Go back to Arsenic Binding Sites List in 5o3x
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 5o3x

Go back to Arsenic Binding Sites List in 5o3x
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

Reference:

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
Page generated: Mon Jul 7 00:27:42 2025

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