Arsenic in PDB 6n6q: Crystal Structure of A Cytochrome P450 (CYP102L1)

The structure of Crystal Structure of A Cytochrome P450 (CYP102L1), PDB code: 6n6q was solved by A.H.Follmer, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.56 / 2.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	119.899, 174.090, 203.469, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 28.9

The structure of Crystal Structure of A Cytochrome P450 (CYP102L1) also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Arsenic atom in the Crystal Structure of A Cytochrome P450 (CYP102L1) (pdb code 6n6q). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 5 binding sites of Arsenic where determined in the Crystal Structure of A Cytochrome P450 (CYP102L1), PDB code: 6n6q:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ A:As502 b:67.0 occ:0.75 AS A:CAC502 0.0 67.0 0.8 O2 A:CAC502 1.7 58.1 0.8 O1 A:CAC502 1.7 59.4 0.8 C2 A:CAC502 1.9 64.1 0.8 C1 A:CAC502 1.9 52.3 0.8 N A:ASN112 3.8 49.5 1.0 ND2 A:ASN112 3.8 48.3 1.0 CB A:TYR111 3.8 52.5 1.0 O A:HOH608 3.9 49.1 1.0 NE2 A:GLN362 4.0 51.0 1.0 N A:SER113 4.3 52.4 1.0 CB A:ASN112 4.3 45.8 1.0 CD1 A:TYR111 4.4 55.1 1.0 OG A:SER113 4.4 56.6 1.0 CG A:TYR111 4.4 55.0 1.0 CA A:TYR111 4.5 49.0 1.0 CA A:ASN112 4.5 51.3 1.0 CG A:ASN112 4.6 49.5 1.0 C A:TYR111 4.6 49.1 1.0 OE1 A:GLN362 4.8 50.2 1.0 CB A:SER113 4.8 54.8 1.0 CD A:GLN362 4.9 51.6 1.0 C A:ASN112 4.9 53.3 1.0

Arsenic binding site 2 out of 5 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ B:As502 b:98.8 occ:1.00 AS B:CAC502 0.0 98.8 1.0 O1 B:CAC502 1.7 85.7 1.0 O2 B:CAC502 1.7 76.6 1.0 C1 B:CAC502 1.9 72.8 1.0 C2 B:CAC502 1.9 71.0 1.0 N B:ASN112 3.8 74.4 1.0 NE2 B:GLN362 3.8 57.0 1.0 ND2 B:ASN112 4.0 57.3 1.0 CB B:ASN112 4.1 64.7 1.0 CB B:TYR111 4.2 67.7 1.0 CD1 B:TYR111 4.3 65.4 1.0 N B:SER113 4.4 68.9 1.0 CG B:ASN112 4.5 64.5 1.0 CA B:ASN112 4.5 70.1 1.0 CG B:TYR111 4.6 67.9 1.0 CA B:TYR111 4.7 66.8 1.0 OE1 B:GLN362 4.7 54.0 1.0 CD B:GLN362 4.7 56.4 1.0 C B:TYR111 4.7 65.3 1.0 OG B:SER113 4.9 76.9 1.0 C B:ASN112 5.0 66.5 1.0

Arsenic binding site 3 out of 5 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Crystal Structure of A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ B:As503 b:94.8 occ:0.38 AS B:CAC503 0.0 94.8 0.4 O1 B:CAC503 1.7 93.4 0.4 O2 B:CAC503 1.7 92.6 0.4 C2 B:CAC503 1.9 94.8 0.4 C1 B:CAC503 1.9 94.1 0.4 O B:GLY30 4.0 93.2 1.0 CD2 B:LEU32 4.1 96.6 1.0 CA B:ARG31 4.6 95.0 1.0 C B:GLY30 4.7 90.7 1.0

Arsenic binding site 4 out of 5 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Crystal Structure of A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ C:As502 b:92.8 occ:1.00 AS C:CAC502 0.0 92.8 1.0 O1 C:CAC502 1.7 70.1 1.0 O2 C:CAC502 1.7 77.5 1.0 C2 C:CAC502 1.9 55.0 1.0 C1 C:CAC502 1.9 66.8 1.0 O C:HOH606 3.3 53.0 1.0 NE2 C:GLN362 3.6 60.5 1.0 N C:ASN112 3.9 60.0 1.0 CB C:TYR111 4.1 52.4 1.0 ND2 C:ASN112 4.2 57.1 1.0 CD1 C:TYR111 4.3 62.4 1.0 CB C:ASN112 4.3 52.6 1.0 CD C:GLN362 4.5 60.9 1.0 OE1 C:GLN362 4.5 62.1 1.0 CG C:TYR111 4.5 60.9 1.0 CG C:ASN112 4.6 57.6 1.0 N C:SER113 4.7 51.6 1.0 CA C:TYR111 4.7 53.4 1.0 CA C:ASN112 4.7 51.0 1.0 C C:TYR111 4.8 57.0 1.0 OE2 C:GLU89 5.0 67.6 1.0

Arsenic binding site 5 out of 5 in the Crystal Structure of A Cytochrome P450 (CYP102L1)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Crystal Structure of A Cytochrome P450 (CYP102L1) within 5.0Å range: probe atom residue distance (Å) B Occ D:As502 b:0.3 occ:1.00 AS D:CAC502 0.0 0.3 1.0 O1 D:CAC502 1.7 70.9 1.0 O2 D:CAC502 1.7 90.0 1.0 C2 D:CAC502 1.9 86.8 1.0 C1 D:CAC502 1.9 83.8 1.0 CD1 D:TYR111 3.7 88.3 1.0 CB D:TYR111 3.7 72.3 1.0 N D:ASN112 4.0 78.1 1.0 NE2 D:GLN362 4.1 60.5 1.0 CG D:TYR111 4.1 85.5 1.0 OG D:SER113 4.1 81.4 1.0 ND2 D:ASN112 4.2 65.6 1.0 N D:SER113 4.4 73.2 1.0 CA D:TYR111 4.5 77.6 1.0 CB D:SER113 4.7 83.7 1.0 CB D:ASN112 4.7 69.2 1.0 CE1 D:TYR111 4.7 82.9 1.0 C D:TYR111 4.7 77.2 1.0 CA D:ASN112 4.8 75.8 1.0 CD D:GLN362 5.0 60.8 1.0 CG D:ASN112 5.0 63.5 1.0 OE1 D:GLN362 5.0 65.4 1.0

D.C.Lamb, A.H.Follmer, J.V.Goldstone, D.R.Nelson, A.G.Warrilow, C.L.Price, M.Y.True, S.L.Kelly, T.L.Poulos, J.J.Stegeman. On the Occurrence of Cytochrome P450 in Viruses. Proc.Natl.Acad.Sci.Usa V. 116 12343 2019.
ISSN: ESSN 1091-6490
PubMed: 31167942
DOI: 10.1073/PNAS.1901080116