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

Protein crystallography data

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

Other elements in 5kdy:

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

Chlorine Binding Sites:

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 5kdy

Go back to Chlorine Binding Sites List in 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

Reference:

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.
Page generated: Sat Dec 12 11:56:21 2020

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