Chlorine in PDB 6ww0: Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog

Enzymatic activity of Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog

All present enzymatic activity of Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog:
1.14.14.19; 1.14.14.32;

Protein crystallography data

The structure of Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog, PDB code: 6ww0 was solved by E.M.Petrunak, A.G.Bart, E.E.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.68 / 2.01
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.722, 151.182, 169.944, 90, 90, 90
R / Rfree (%) 18.5 / 21.8

Other elements in 6ww0:

The structure of Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog (pdb code 6ww0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog, PDB code: 6ww0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6ww0

Go back to Chlorine Binding Sites List in 6ww0
Chlorine binding site 1 out of 2 in the Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl603

b:28.1
occ:1.00
H D:LEU221 2.6 28.9 1.0
HB2 D:LEU221 2.8 35.2 1.0
O D:HOH900 2.9 35.4 1.0
HB3 D:ALA100 2.9 26.9 1.0
HA D:PRO219 3.0 32.0 1.0
HE2 D:LYS222 3.1 43.3 1.0
O D:HOH858 3.2 23.7 1.0
HG3 D:LYS222 3.2 40.4 1.0
N D:LEU221 3.4 24.1 1.0
HB2 D:PRO219 3.4 33.2 1.0
C D:PRO219 3.4 26.8 1.0
CA D:PRO219 3.5 26.6 1.0
HG D:LEU221 3.5 36.6 1.0
H D:TRP220 3.6 30.2 1.0
CB D:LEU221 3.6 29.3 1.0
N D:TRP220 3.6 25.1 1.0
HD12 D:LEU221 3.7 38.8 1.0
H D:LYS222 3.7 30.8 1.0
CB D:ALA100 3.8 22.4 1.0
CB D:PRO219 3.8 27.7 1.0
HB2 D:ALA100 3.9 26.9 1.0
CE D:LYS222 3.9 36.1 1.0
HB3 D:PRO219 3.9 33.2 1.0
O D:PRO219 3.9 22.2 1.0
CG D:LEU221 4.0 30.4 1.0
CA D:LEU221 4.0 29.4 1.0
HE3 D:LYS222 4.0 43.3 1.0
HB2 D:LYS222 4.1 35.6 1.0
CG D:LYS222 4.1 33.6 1.0
HB1 D:ALA100 4.1 26.9 1.0
N D:LYS222 4.2 25.6 1.0
CD1 D:LEU221 4.3 32.3 1.0
C D:TRP220 4.4 28.1 1.0
H D:ALA100 4.4 30.2 1.0
HB3 D:LEU221 4.4 35.2 1.0
C D:LEU221 4.5 29.5 1.0
CA D:TRP220 4.6 26.8 1.0
H D:THR101 4.6 25.3 1.0
CB D:LYS222 4.6 29.6 1.0
O D:HOH811 4.6 36.9 1.0
CD D:LYS222 4.6 39.2 1.0
HB2 D:TRP220 4.7 32.6 1.0
HD11 D:LEU221 4.8 38.8 1.0
O D:HOH797 4.8 31.6 1.0
HG2 D:LYS222 4.8 40.4 1.0
HA D:LEU221 4.9 35.4 1.0
CA D:ALA100 4.9 23.9 1.0
N D:PRO219 4.9 28.2 1.0
HB D:THR101 4.9 30.5 1.0
HD3 D:LYS222 5.0 47.1 1.0

Chlorine binding site 2 out of 2 in 6ww0

Go back to Chlorine Binding Sites List in 6ww0
Chlorine binding site 2 out of 2 in the Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Steroidogenic Cytochrome P450 17A1 with 3-Keto-5ALPHA- Abiraterone Analog within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl604

b:48.2
occ:1.00
HE21 D:GLN57 2.4 34.4 1.0
HB3 D:GLN57 2.8 35.7 1.0
O D:HOH897 3.1 48.5 1.0
HB3 D:PRO62 3.2 32.0 1.0
NE2 D:GLN57 3.3 28.6 1.0
HD3 D:PRO62 3.3 28.9 1.0
HA D:PRO62 3.4 34.0 1.0
HA2 D:GLY61 3.6 34.5 1.0
HE22 D:GLN57 3.6 34.4 1.0
O D:HOH905 3.6 50.1 1.0
N D:PRO62 3.6 29.0 1.0
CB D:GLN57 3.7 29.7 1.0
C D:GLY61 3.8 27.2 1.0
CA D:PRO62 3.9 28.3 1.0
CB D:PRO62 3.9 26.6 1.0
CD D:PRO62 3.9 24.0 1.0
HB2 D:GLN57 4.1 35.7 1.0
O D:GLN57 4.2 29.2 1.0
CA D:GLY61 4.2 28.7 1.0
O D:GLY61 4.3 26.9 1.0
CD D:GLN57 4.3 32.2 1.0
HG2 D:GLN57 4.3 33.9 1.0
CG D:GLN57 4.4 28.2 1.0
CG D:PRO62 4.5 25.6 1.0
C D:GLN57 4.6 32.9 1.0
HG3 D:PRO62 4.6 30.8 1.0
CA D:GLN57 4.7 28.1 1.0
HB2 D:PRO62 4.7 32.0 1.0
HZ3 D:LYS404 4.7 76.4 1.0
HD2 D:PRO62 4.8 28.9 1.0
HA D:GLN57 4.8 33.8 1.0
HZ1 D:LYS404 4.8 76.4 1.0
HA3 D:GLY61 4.8 34.5 1.0
HB2 D:HIS78 4.9 35.5 1.0
HD21 D:ASN402 4.9 44.6 1.0
H D:GLY61 4.9 31.7 1.0

Reference:

E.M.Petrunak, A.G.Bart, E.E.Scott, R.J.Auchus. Human Cytochrome P450 17A1 Structures with Metabolites of Prostate Cancer Drug Abiraterone Reveal Substrate-Binding Plasticity and A Second Steroid Binding Site To Be Published.
Page generated: Sat Jul 10 12:23:54 2021

Last articles

Cl in 6COG
Cl in 6CST
Cl in 6CTW
Cl in 6CTZ
Cl in 6CTT
Cl in 6CSP
Cl in 6CU9
Cl in 6CTX
Cl in 6CTU
Cl in 6CTP
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy