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Chlorine in PDB 5x23: Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules

Enzymatic activity of Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules

All present enzymatic activity of Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules:
1.14.13.48; 1.14.13.49; 1.14.13.80; 1.14.99.38;

Protein crystallography data

The structure of Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules, PDB code: 5x23 was solved by K.Maekawa, M.Adachi, M.B.Shah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.51 / 2.00
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 74.952, 142.273, 161.831, 90.00, 90.00, 90.00
R / Rfree (%) 21.7 / 25.3

Other elements in 5x23:

The structure of Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules also contains other interesting chemical elements:

Potassium (K) 1 atom
Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules (pdb code 5x23). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules, PDB code: 5x23:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5x23

Go back to Chlorine Binding Sites List in 5x23
Chlorine binding site 1 out of 4 in the Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules


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 CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:64.5
occ:1.00
 CL A:LSN502 0.0 64.5 1.0
C17 A:LSN502 1.8 62.6 1.0
N6 A:LSN502 2.8 58.2 1.0
C15 A:LSN502 3.0 62.8 1.0
C16 A:LSN502 3.6 65.3 1.0
CB A:ALA106 3.6 76.4 1.0
CG2 A:VAL237 3.9 46.2 1.0
ND2 A:ASN204 3.9 45.4 1.0
O A:ALA106 4.0 77.0 1.0
C18 A:LSN502 4.0 59.9 1.0
N5 A:LSN502 4.0 59.5 1.0
CB A:LEU233 4.0 44.6 1.0
CD2 A:LEU233 4.2 43.9 1.0
O A:LSN502 4.2 66.7 1.0
CD1 A:LEU208 4.5 43.6 1.0
CG A:LEU233 4.5 45.7 1.0
O A:LEU233 4.6 46.9 1.0
CA A:ALA106 4.6 77.3 1.0
CD A:ARG108 4.7 70.7 1.0
CG A:ARG108 4.7 71.8 1.0
C A:LEU233 4.7 46.0 1.0
CD1 A:LEU233 4.7 47.0 1.0
CG A:ASN204 4.7 42.1 1.0
C A:ALA106 4.8 76.9 1.0
CA A:LEU233 4.8 45.7 1.0
CD2 A:LEU208 4.8 39.2 1.0
CB A:ASN204 4.9 37.9 1.0

Chlorine binding site 2 out of 4 in 5x23

Go back to Chlorine Binding Sites List in 5x23
Chlorine binding site 2 out of 4 in the Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules


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 CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:74.1
occ:1.00
 CL A:LSN503 0.0 74.1 1.0
C17 A:LSN503 1.4 63.4 1.0
N6 A:LSN503 2.5 63.1 1.0
C15 A:LSN503 2.8 56.6 1.0
CD A:LYS232 3.2 50.8 1.0
NZ A:LYS232 3.3 53.8 1.0
C16 A:LSN503 3.4 60.6 1.0
CE A:LYS232 3.6 50.1 1.0
C18 A:LSN503 3.7 60.5 1.0
N5 A:LSN503 3.8 56.6 1.0
CG A:LYS232 4.2 45.6 1.0
CB A:LYS232 4.5 43.7 1.0
CD A:LYS235 4.6 64.4 1.0
O A:LSN503 4.8 59.8 1.0
CA A:LYS232 4.9 43.8 1.0

Chlorine binding site 3 out of 4 in 5x23

Go back to Chlorine Binding Sites List in 5x23
Chlorine binding site 3 out of 4 in the Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules


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 CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:0.3
occ:0.30
 CL A:LSN504 0.0 0.3 0.3
C17 A:LSN504 1.8 40.9 0.3
N6 A:LSN504 1.9 98.3 0.7
ND2 A:ASN218 2.4 73.7 1.0
CG A:ASN218 2.6 75.0 1.0
O A:GLN214 2.8 59.6 1.0
O A:LSN504 2.8 41.4 0.3
C15 A:LSN504 2.9 87.9 0.3
C18 A:LSN504 2.9 98.4 0.7
C17 A:LSN504 3.0 97.7 0.7
N6 A:LSN504 3.0 53.2 0.3
OD1 A:ASN218 3.1 68.5 1.0
C16 A:LSN504 3.4 84.3 0.3
CB A:ASN218 3.4 77.0 1.0
C19 A:LSN504 3.4 84.7 0.7
C20 A:LSN504 3.4 67.8 0.7
CL A:LSN504 3.7 57.4 0.3
C21 A:LSN504 3.7 44.4 0.7
CB A:PHE100 3.9 72.2 1.0
C A:GLN214 3.9 58.5 1.0
CG A:PHE100 4.0 76.0 1.0
N5 A:LSN504 4.1 57.3 0.3
N5 A:LSN504 4.1 61.6 0.7
CD1 A:PHE100 4.2 79.9 1.0
C18 A:LSN504 4.2 55.6 0.3
C15 A:LSN504 4.2 92.5 0.7
CB A:LEU102 4.4 71.4 1.0
CD2 A:LEU102 4.5 65.4 1.0
C22 A:LSN504 4.6 50.5 0.7
CA A:GLN214 4.6 56.5 1.0
C10 A:LSN504 4.7 55.1 0.7
C10 A:LSN504 4.7 66.4 0.3
CD2 A:PHE100 4.7 79.7 1.0
O A:ILE213 4.8 47.8 1.0
CA A:ASN218 4.8 78.1 1.0
CE1 A:PHE100 4.9 81.9 1.0
N A:ILE215 4.9 62.0 1.0

Chlorine binding site 4 out of 4 in 5x23

Go back to Chlorine Binding Sites List in 5x23
Chlorine binding site 4 out of 4 in the Crystal Structure of CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules


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 CYP2C9 Genetic Variant A477T (*30) in Complex with Multiple Losartan Molecules within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:57.4
occ:0.30
 CL A:LSN504 0.0 57.4 0.3
C17 A:LSN504 1.8 97.7 0.7
N6 A:LSN504 1.9 53.2 0.3
C17 A:LSN504 2.9 40.9 0.3
CZ A:PHE69 2.9 75.4 1.0
N6 A:LSN504 2.9 98.3 0.7
C15 A:LSN504 3.0 92.5 0.7
C18 A:LSN504 3.0 55.6 0.3
C20 A:LSN504 3.0 79.0 0.3
O A:LSN504 3.1 69.3 0.7
CE1 A:PHE69 3.2 73.6 1.0
C16 A:LSN504 3.6 69.9 0.7
C19 A:LSN504 3.6 38.6 0.3
CE2 A:PHE69 3.7 76.4 1.0
CL A:LSN504 3.7 0.3 0.3
CB A:ASN218 3.7 77.0 1.0
O A:GLN214 3.7 59.6 1.0
O A:ILE215 3.9 66.6 1.0
CE1 A:PHE100 4.0 81.9 1.0
CA A:ILE215 4.1 65.6 1.0
CD1 A:PHE100 4.1 79.9 1.0
C18 A:LSN504 4.2 98.4 0.7
C15 A:LSN504 4.2 87.9 0.3
CD1 A:PHE69 4.2 70.9 1.0
N5 A:LSN504 4.2 61.6 0.7
N5 A:LSN504 4.2 57.3 0.3
C21 A:LSN504 4.4 59.8 0.3
C A:ILE215 4.4 67.0 1.0
CG A:ASN218 4.4 75.0 1.0
CD2 A:PHE69 4.5 74.8 1.0
ND2 A:ASN218 4.6 73.7 1.0
C A:GLN214 4.7 58.5 1.0
CG1 A:ILE215 4.7 69.2 1.0
CG A:PHE69 4.8 70.0 1.0
CA A:ASN218 4.9 78.1 1.0
CZ A:PHE100 4.9 81.7 1.0
N A:ILE215 4.9 62.0 1.0
CB A:ILE215 4.9 65.9 1.0
C22 A:LSN504 5.0 74.4 0.3
CE1 A:PHE219 5.0 92.7 1.0

Reference:

K.Maekawa, M.Adachi, Y.Matsuzawa, Q.Zhang, R.Kuroki, Y.Saito, M.B.Shah. Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry V. 56 5476 2017.
ISSN: ISSN 1520-4995
PubMed: 28972767
DOI: 10.1021/ACS.BIOCHEM.7B00795
Page generated: Fri Jul 26 20:45:46 2024

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