Chlorine in PDB 7n60: The Crystal Structure of 4-Methoxybenzoate-Bound CYP199A S244D Mutant

The structure of The Crystal Structure of 4-Methoxybenzoate-Bound CYP199A S244D Mutant, PDB code: 7n60 was solved by I.C.K.Lau, T.Coleman, S.G.Bell, J.B.Bruning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.00 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.291, 51.22, 79.181, 90, 92.14, 90
R / Rfree (%)	17.4 / 26.4

The structure of The Crystal Structure of 4-Methoxybenzoate-Bound CYP199A S244D Mutant also contains other interesting chemical elements:

Iron	(Fe)	1 atom
Magnesium	(Mg)	1 atom

The binding sites of Chlorine atom in the The Crystal Structure of 4-Methoxybenzoate-Bound CYP199A S244D Mutant (pdb code 7n60). 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 4-Methoxybenzoate-Bound CYP199A S244D Mutant, PDB code: 7n60:

Chlorine binding site 1 out of 1 in the The Crystal Structure of 4-Methoxybenzoate-Bound CYP199A S244D Mutant


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 4-Methoxybenzoate-Bound CYP199A S244D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:30.7 occ:1.00 O A:HOH714 2.4 20.6 1.0 ND2 A:ASN207 2.7 13.8 1.0 OH A:TYR177 2.8 7.1 1.0 OD1 A:ASN207 3.3 17.7 1.0 CE1 A:TYR177 3.3 8.2 1.0 CG A:ASN207 3.4 19.1 1.0 CZ A:TYR177 3.4 11.5 1.0 O A:HOH803 3.6 9.0 1.0 CB A:GLN203 3.7 9.8 1.0 CA A:GLN203 3.8 9.8 1.0 O A:GLN203 4.0 7.5 1.0 CD A:ARG243 4.0 6.3 1.0 CG A:GLN203 4.1 13.8 1.0 OE1 A:GLN203 4.2 20.3 1.0 C A:GLN203 4.4 10.3 1.0 CD1 A:TYR177 4.5 6.8 1.0 CD A:ARG92 4.5 5.1 1.0 CD A:GLN203 4.6 17.6 1.0 CG A:ARG243 4.7 3.4 1.0 CB A:ARG92 4.7 8.8 1.0 CE2 A:TYR177 4.7 10.6 1.0 CG1 A:VAL206 4.7 8.3 1.0 CB A:ASN207 4.8 10.1 1.0 NH2 A:ARG243 4.8 4.0 1.0 CB A:VAL206 4.8 10.5 1.0 N A:ASN207 4.9 10.1 1.0

I.C.K.Lau, T.Coleman, S.G.Bell, J.B.Bruning. The Crystal Structure of 4-Methoxybenzoate-Bound CYP199A S244D Mutant To Be Published.