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Chlorine in PDB 5kdb: The Crystal Structure of 4-Isopropylbenzoate-Bound CYP199A4

Protein crystallography data

The structure of The Crystal Structure of 4-Isopropylbenzoate-Bound CYP199A4, PDB code: 5kdb 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) 43.15 / 1.64
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.313, 51.453, 79.283, 90.00, 91.88, 90.00
R / Rfree (%) 14.7 / 18.6

Other elements in 5kdb:

The structure of The Crystal Structure of 4-Isopropylbenzoate-Bound CYP199A4 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 4-Isopropylbenzoate-Bound CYP199A4 (pdb code 5kdb). 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-Isopropylbenzoate-Bound CYP199A4, PDB code: 5kdb:

Chlorine binding site 1 out of 1 in 5kdb

Go back to Chlorine Binding Sites List in 5kdb
Chlorine binding site 1 out of 1 in the The Crystal Structure of 4-Isopropylbenzoate-Bound CYP199A4


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-Isopropylbenzoate-Bound CYP199A4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:40.9
occ:1.00
OH A:TYR177 2.6 13.4 1.0
O A:HOH849 2.7 24.0 1.0
HE1 A:TYR177 2.9 14.4 1.0
HD2 A:ARG243 3.2 12.2 1.0
HH A:TYR177 3.2 16.1 1.0
HD21 A:ASN207 3.2 25.5 1.0
HG2 A:GLN203 3.3 28.3 1.0
HD2 A:ARG92 3.4 11.9 1.0
HB3 A:GLN203 3.4 24.1 1.0
O A:HOH806 3.5 16.2 1.0
CZ A:TYR177 3.5 12.9 1.0
CE1 A:TYR177 3.5 12.0 1.0
HB2 A:ARG92 3.5 14.6 1.0
OE1 A:GLN203 3.6 26.9 1.0
OD1 A:ASN207 3.6 16.2 1.0
HD3 A:ARG92 3.6 11.9 1.0
HB3 A:ARG92 3.7 14.6 1.0
HA A:GLN203 3.7 16.0 1.0
HH21 A:ARG243 3.8 13.6 1.0
ND2 A:ASN207 3.8 21.2 1.0
CG A:GLN203 3.9 23.6 1.0
CD A:ARG92 3.9 9.9 1.0
HH11 A:ARG92 4.0 14.1 1.0
CB A:GLN203 4.0 20.1 1.0
CB A:ARG92 4.0 12.1 1.0
CG A:ASN207 4.1 21.7 1.0
CD A:ARG243 4.1 10.2 1.0
CD A:GLN203 4.1 30.4 1.0
CA A:GLN203 4.4 13.4 1.0
HD3 A:ARG243 4.4 12.2 1.0
HZ3 A:TRP91 4.4 21.7 1.0
NH2 A:ARG243 4.4 11.4 1.0
HH2 A:TRP91 4.5 22.6 1.0
HD22 A:ASN207 4.5 25.5 1.0
HG3 A:ARG243 4.6 9.3 1.0
CG A:ARG92 4.6 10.7 1.0
HD2 A:PRO93 4.6 14.2 1.0
CZ3 A:TRP91 4.7 18.1 1.0
O A:GLN203 4.7 14.3 1.0
CH2 A:TRP91 4.7 18.9 1.0
HB A:VAL206 4.8 12.3 1.0
CD1 A:TYR177 4.8 12.3 1.0
CE2 A:TYR177 4.8 9.9 1.0
HH22 A:ARG243 4.8 13.6 1.0
HG3 A:GLN203 4.8 28.3 1.0
NH1 A:ARG92 4.9 11.8 1.0
CG A:ARG243 4.9 7.7 1.0
NE A:ARG243 4.9 11.6 1.0
HB2 A:GLN203 4.9 24.1 1.0
HG12 A:VAL206 4.9 13.3 1.0
HG11 A:VAL206 4.9 13.3 1.0

Reference:

T.Coleman, J.B.Bruning, S.G.Bell. The Crystal Structure of 4-Isopropylbenzoate-Bound CYP199A4 To Be Published.
Page generated: Sat Jul 12 04:02:42 2025

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