Chlorine in PDB 5kdy: The Crystal Structure of the D251N Mutant of CYP199A4 in Complex with 4-Methoxybenzoate

The structure of The Crystal Structure of the D251N Mutant of CYP199A4 in Complex with 4-Methoxybenzoate, PDB code: 5kdy was solved by T.Coleman, J.B.Bruning, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.08 / 1.59
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.704, 51.388, 78.274, 90.00, 93.13, 90.00
R / Rfree (%)	18.5 / 24.8

The structure of The Crystal Structure of the D251N Mutant of CYP199A4 in Complex with 4-Methoxybenzoate also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the The Crystal Structure of the D251N Mutant of CYP199A4 in Complex with 4-Methoxybenzoate (pdb code 5kdy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Crystal Structure of the D251N Mutant of CYP199A4 in Complex with 4-Methoxybenzoate, PDB code: 5kdy:

Chlorine binding site 1 out of 1 in the The Crystal Structure of the D251N Mutant of CYP199A4 in Complex with 4-Methoxybenzoate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the D251N Mutant of CYP199A4 in Complex with 4-Methoxybenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:17.9 occ:0.49 OH A:TYR177 2.6 12.3 1.0 NE2 A:GLN203 2.8 20.6 1.0 O A:HOH1040 3.0 25.6 1.0 CG A:GLN203 3.3 21.8 1.0 CZ A:TYR177 3.4 8.0 1.0 CE1 A:TYR177 3.5 10.9 1.0 CD A:GLN203 3.5 21.0 1.0 CD A:ARG92 3.5 10.8 1.0 CB A:ARG92 3.6 10.3 1.0 O A:HOH911 4.0 10.9 1.0 CH2 A:TRP91 4.1 9.9 1.0 CG A:ARG92 4.2 8.2 1.0 CZ3 A:TRP91 4.2 14.3 1.0 ND2 A:ASN207 4.2 19.1 1.0 OD1 A:ASN207 4.3 15.8 1.0 CB A:GLN203 4.3 21.4 1.0 NH2 A:ARG243 4.4 8.6 1.0 CD A:ARG243 4.4 5.3 1.0 CG A:ASN207 4.7 18.6 1.0 OE1 A:GLN203 4.7 32.1 1.0 NH1 A:ARG92 4.7 11.5 1.0 O A:HOH625 4.7 22.5 1.0 CA A:GLN203 4.7 16.6 1.0 CE2 A:TYR177 4.8 7.6 1.0 CD1 A:TYR177 4.8 8.5 1.0 NE A:ARG92 4.8 7.2 1.0 CZ2 A:TRP91 4.9 10.2 1.0

T.Coleman, J.B.Bruning, S.G.Bell. The Crystal Structure of the D251N Mutant of CYP199A4 in Complex with 4-Methoxybenzoate To Be Published.