Chlorine in PDB 6vlt: Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan

Enzymatic activity of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan

All present enzymatic activity of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan:
1.14.14.1; 1.14.14.51; 1.14.14.52; 1.14.14.53;

Protein crystallography data

The structure of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan, PDB code: 6vlt was solved by M.B.Shah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.01 / 3.12
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 238.100, 238.100, 109.851, 90.00, 90.00, 120.00
R / Rfree (%) 15.6 / 22.1

Other elements in 6vlt:

The structure of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan also contains other interesting chemical elements:

Iron (Fe) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan (pdb code 6vlt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan, PDB code: 6vlt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6vlt

Go back to Chlorine Binding Sites List in 6vlt
Chlorine binding site 1 out of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:1.0
occ:1.00
CL A:LSN502 0.0 1.0 1.0
C17 A:LSN502 1.7 98.1 1.0
N6 A:LSN502 2.7 88.6 1.0
C15 A:LSN502 2.8 94.7 1.0
CE A:MET240 2.9 83.9 1.0
CG2 A:VAL292 3.3 64.6 1.0
C16 A:LSN502 3.4 89.7 1.0
C18 A:LSN502 3.8 86.0 1.0
N5 A:LSN502 3.9 86.2 1.0
SD A:MET240 3.9 92.5 1.0
CG1 A:VAL237 4.0 53.4 1.0
CG2 A:VAL237 4.1 53.7 1.0
CB A:MET240 4.2 68.0 1.0
CA A:VAL237 4.2 51.9 1.0
O A:LSN502 4.2 81.8 1.0
O A:VAL237 4.2 59.7 1.0
NH1 A:ARG108 4.3 97.1 1.0
CB A:VAL237 4.4 50.4 1.0
CZ A:ARG108 4.4 90.4 1.0
CG A:MET240 4.5 74.5 1.0
CB A:VAL292 4.7 58.0 1.0
C A:VAL237 4.7 57.5 1.0
NE A:ARG108 4.8 89.3 1.0
NH2 A:ARG108 4.9 87.9 1.0
O A:VAL292 4.9 45.6 1.0
CG1 A:VAL292 4.9 60.5 1.0

Chlorine binding site 2 out of 8 in 6vlt

Go back to Chlorine Binding Sites List in 6vlt
Chlorine binding site 2 out of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:0.9
occ:1.00
CL B:LSN502 0.0 0.9 1.0
C17 B:LSN502 1.7 99.1 1.0
N6 B:LSN502 2.7 96.4 1.0
C15 B:LSN502 2.8 94.5 1.0
CG2 B:VAL292 3.2 63.1 1.0
C16 B:LSN502 3.4 85.0 1.0
NH2 B:ARG108 3.6 84.5 1.0
CB B:MET240 3.8 78.1 1.0
C18 B:LSN502 3.8 0.3 1.0
N5 B:LSN502 3.9 98.0 1.0
CG1 B:VAL237 3.9 57.6 1.0
CG B:MET240 4.0 86.7 1.0
CE B:MET240 4.0 98.1 1.0
CA B:VAL237 4.1 60.7 1.0
O B:LSN502 4.1 69.3 1.0
CG2 B:VAL237 4.2 57.0 1.0
CB B:VAL237 4.3 57.7 1.0
O B:VAL237 4.4 64.9 1.0
CZ B:ARG108 4.5 86.0 1.0
CB B:VAL292 4.7 58.0 1.0
C B:VAL237 4.8 61.9 1.0
SD B:MET240 4.9 0.1 1.0
CD B:ARG108 4.9 81.2 1.0
NE B:ARG108 5.0 87.1 1.0

Chlorine binding site 3 out of 8 in 6vlt

Go back to Chlorine Binding Sites List in 6vlt
Chlorine binding site 3 out of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:0.9
occ:1.00
CL C:LSN502 0.0 0.9 1.0
C17 C:LSN502 1.7 0.9 1.0
N6 C:LSN502 2.7 0.4 1.0
C15 C:LSN502 2.8 93.9 1.0
CG2 C:VAL292 3.2 65.0 1.0
C16 C:LSN502 3.4 83.1 1.0
CE C:MET240 3.7 89.5 1.0
CB C:MET240 3.7 70.0 1.0
C18 C:LSN502 3.8 92.3 1.0
O C:LSN502 3.8 69.9 1.0
N5 C:LSN502 3.9 88.4 1.0
CG C:MET240 4.0 82.0 1.0
CG1 C:VAL237 4.2 54.6 1.0
CA C:VAL237 4.2 55.4 1.0
CG2 C:VAL237 4.3 52.0 1.0
O C:VAL237 4.4 61.3 1.0
CB C:VAL237 4.4 52.4 1.0
CZ C:ARG108 4.6 89.4 1.0
NH2 C:ARG108 4.6 87.7 1.0
NE C:ARG108 4.6 88.8 1.0
SD C:MET240 4.6 0.8 1.0
CD C:ARG108 4.7 82.0 1.0
CB C:VAL292 4.7 57.3 1.0
O C:VAL292 4.7 44.6 1.0
C C:VAL237 4.8 57.4 1.0

Chlorine binding site 4 out of 8 in 6vlt

Go back to Chlorine Binding Sites List in 6vlt
Chlorine binding site 4 out of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:0.5
occ:1.00
CL D:LSN502 0.0 0.5 1.0
C17 D:LSN502 1.7 99.0 1.0
N6 D:LSN502 2.7 91.8 1.0
C15 D:LSN502 2.8 95.7 1.0
CG1 D:VAL292 3.3 64.7 1.0
C16 D:LSN502 3.4 90.8 1.0
CE D:MET240 3.8 93.0 1.0
C18 D:LSN502 3.8 89.3 1.0
N5 D:LSN502 3.9 90.5 1.0
NH1 D:ARG108 3.9 86.7 1.0
CB D:MET240 3.9 75.5 1.0
CG1 D:VAL237 4.1 53.6 1.0
O D:LSN502 4.1 80.6 1.0
CG2 D:VAL237 4.2 50.6 1.0
CA D:VAL237 4.3 51.9 1.0
O D:VAL237 4.4 61.8 1.0
CB D:VAL237 4.4 50.4 1.0
CG D:MET240 4.4 82.4 1.0
CZ D:ARG108 4.6 88.9 1.0
CB D:VAL292 4.8 60.4 1.0
C D:VAL237 4.8 58.6 1.0
O D:VAL292 4.8 57.4 1.0
SD D:MET240 4.9 0.2 1.0

Chlorine binding site 5 out of 8 in 6vlt

Go back to Chlorine Binding Sites List in 6vlt
Chlorine binding site 5 out of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl503

b:88.7
occ:1.00
CL E:LSN503 0.0 88.7 1.0
C17 E:LSN503 1.7 72.0 1.0
N6 E:LSN503 2.7 70.5 1.0
C15 E:LSN503 2.8 67.1 1.0
CG2 E:VAL292 3.3 72.2 1.0
C16 E:LSN503 3.4 70.7 1.0
CB E:MET240 3.7 76.3 1.0
C18 E:LSN503 3.8 70.6 1.0
N5 E:LSN503 3.9 70.1 1.0
CG E:MET240 3.9 90.9 1.0
CG1 E:VAL237 4.0 67.4 1.0
NH1 E:ARG108 4.0 91.8 1.0
O E:LSN503 4.1 69.1 1.0
CG2 E:VAL237 4.2 64.9 1.0
CA E:VAL237 4.4 65.6 1.0
CB E:VAL237 4.4 64.8 1.0
CZ E:ARG108 4.4 90.7 1.0
O E:VAL237 4.7 65.3 1.0
CB E:VAL292 4.8 62.6 1.0
NE E:ARG108 4.9 93.4 1.0
NH2 E:ARG108 5.0 95.5 1.0
O E:VAL292 5.0 64.2 1.0
CD E:ARG108 5.0 85.6 1.0

Chlorine binding site 6 out of 8 in 6vlt

Go back to Chlorine Binding Sites List in 6vlt
Chlorine binding site 6 out of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl503

b:0.8
occ:1.00
CL F:LSN503 0.0 0.8 1.0
C17 F:LSN503 1.7 90.6 1.0
N6 F:LSN503 2.7 86.5 1.0
C15 F:LSN503 2.8 87.7 1.0
CG2 F:VAL292 3.3 78.1 1.0
C16 F:LSN503 3.4 88.3 1.0
NH1 F:ARG108 3.7 97.4 1.0
C18 F:LSN503 3.8 79.3 1.0
N5 F:LSN503 3.9 84.4 1.0
SD F:MET240 4.0 0.4 1.0
O F:LSN503 4.2 73.9 1.0
CZ F:ARG108 4.2 98.0 1.0
CG2 F:VAL237 4.3 96.4 1.0
CB F:MET240 4.3 91.0 1.0
CG1 F:VAL237 4.5 92.5 1.0
CA F:VAL237 4.5 84.8 1.0
O F:VAL237 4.5 75.2 1.0
CB F:VAL292 4.6 73.4 1.0
CD F:ARG108 4.6 90.3 1.0
NE F:ARG108 4.6 87.4 1.0
CB F:VAL237 4.7 91.6 1.0
CG1 F:VAL292 4.8 73.2 1.0
CG F:MET240 4.9 97.4 1.0
NH2 F:ARG108 4.9 0.6 1.0
C F:VAL237 5.0 79.2 1.0
O F:VAL292 5.0 71.5 1.0

Chlorine binding site 7 out of 8 in 6vlt

Go back to Chlorine Binding Sites List in 6vlt
Chlorine binding site 7 out of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl503

b:0.1
occ:1.00
CL G:LSN503 0.0 0.1 1.0
C17 G:LSN503 1.7 91.0 1.0
N6 G:LSN503 2.7 88.8 1.0
C15 G:LSN503 2.8 87.3 1.0
CG2 G:VAL292 3.2 81.6 1.0
C16 G:LSN503 3.4 88.3 1.0
NH1 G:ARG108 3.5 0.7 1.0
CE G:MET240 3.6 0.2 1.0
C18 G:LSN503 3.8 83.9 1.0
N5 G:LSN503 3.9 89.3 1.0
O G:LSN503 4.1 77.0 1.0
CG2 G:VAL237 4.4 93.2 1.0
CG1 G:VAL237 4.5 89.0 1.0
SD G:MET240 4.5 0.7 1.0
CB G:VAL292 4.5 77.0 1.0
CZ G:ARG108 4.6 0.8 1.0
CA G:VAL237 4.6 85.4 1.0
CG1 G:VAL292 4.7 74.5 1.0
CB G:MET240 4.7 92.9 1.0
O G:VAL237 4.7 79.3 1.0
CB G:VAL237 4.7 88.1 1.0
O G:VAL292 4.8 65.3 1.0

Chlorine binding site 8 out of 8 in 6vlt

Go back to Chlorine Binding Sites List in 6vlt
Chlorine binding site 8 out of 8 in the Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl503

b:93.8
occ:1.00
CL H:LSN503 0.0 93.8 1.0
C17 H:LSN503 1.7 76.7 1.0
N6 H:LSN503 2.7 75.8 1.0
C15 H:LSN503 2.8 73.3 1.0
C16 H:LSN503 3.4 77.2 1.0
C18 H:LSN503 3.8 75.8 1.0
CG2 H:VAL292 3.8 62.9 1.0
N5 H:LSN503 3.9 75.5 1.0
NH2 H:ARG108 3.9 84.2 1.0
CG1 H:VAL237 3.9 68.3 1.0
CB H:MET240 4.0 81.8 1.0
O H:LSN503 4.2 70.4 1.0
CB H:VAL292 4.2 60.9 1.0
CE H:MET240 4.2 0.6 1.0
CZ H:ARG108 4.3 81.8 1.0
CG2 H:VAL237 4.3 68.4 1.0
O H:VAL292 4.4 69.5 1.0
CB H:VAL237 4.5 67.9 1.0
CG H:MET240 4.5 91.7 1.0
CA H:VAL237 4.5 70.9 1.0
O H:VAL237 4.6 73.5 1.0
NH1 H:ARG108 4.7 82.7 1.0
NE H:ARG108 4.7 80.2 1.0
CD H:ARG108 4.9 84.4 1.0
C H:VAL292 5.0 64.5 1.0

Reference:

S.J.Parikh, C.M.Evans, J.O.Obi, Q.Zhang, K.Maekawa, K.C.Glass, M.B.Shah. Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights Into the Effect of Genetic Polymorphism. Mol.Pharmacol. V. 98 529 2020.
ISSN: ESSN 1521-0111
PubMed: 32938720
DOI: 10.1124/MOLPHARM.120.000042
Page generated: Sat Dec 12 14:21:05 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy