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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

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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

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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

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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

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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

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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

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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

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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

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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: Mon Jul 29 16:24:23 2024

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