Atomistry » Chlorine » PDB 8ccc-8ckt » 8ckn
Atomistry »
  Chlorine »
    PDB 8ccc-8ckt »
      8ckn »

Chlorine in PDB 8ckn: Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis

Protein crystallography data

The structure of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis, PDB code: 8ckn was solved by I.R.Selvam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.83 / 1.54
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 42.202, 48.734, 54.045, 112.09, 98.85, 109.11
R / Rfree (%) 16.4 / 19.4

Other elements in 8ckn:

The structure of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis (pdb code 8ckn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis, PDB code: 8ckn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 8ckn

Go back to Chlorine Binding Sites List in 8ckn
Chlorine binding site 1 out of 8 in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:13.0
occ:1.00
HH12 A:ARG93 2.6 26.2 1.0
H A:VAL105 2.8 13.9 1.0
HG3 A:GLN97 2.9 27.7 1.0
HA A:PRO104 3.0 19.8 1.0
HD2 A:PRO98 3.1 20.3 1.0
HH22 A:ARG93 3.2 36.7 1.0
HG23 A:VAL105 3.4 16.1 1.0
NH1 A:ARG93 3.4 21.8 1.0
HA A:GLN97 3.5 20.1 1.0
HD3 A:PRO98 3.6 20.3 1.0
HB3 A:ALA109 3.6 14.0 1.0
N A:VAL105 3.6 11.6 1.0
CG A:GLN97 3.8 23.1 1.0
HG2 A:GLN97 3.8 27.7 1.0
CD A:PRO98 3.8 16.9 1.0
NH2 A:ARG93 3.8 30.6 1.0
CA A:PRO104 3.9 16.5 1.0
HH11 A:ARG93 4.0 26.2 1.0
HG2 A:PRO102 4.0 39.5 1.0
CZ A:ARG93 4.1 30.0 1.0
HB1 A:ALA109 4.1 14.0 1.0
HB A:VAL105 4.1 10.4 1.0
C A:PRO104 4.3 14.1 1.0
CG2 A:VAL105 4.3 13.4 1.0
HZ A:PHE110 4.3 16.8 1.0
CB A:ALA109 4.3 11.7 1.0
CA A:GLN97 4.4 16.7 1.0
HB3 A:PRO104 4.4 16.0 1.0
CB A:GLN97 4.5 19.2 1.0
HE1 A:PHE110 4.5 13.1 1.0
CZ A:PHE110 4.5 14.0 1.0
O A:LEU103 4.5 17.5 1.0
HB2 A:GLN97 4.5 23.0 1.0
CB A:VAL105 4.6 8.7 1.0
HH21 A:ARG93 4.6 36.7 1.0
CB A:PRO104 4.6 13.4 1.0
CE1 A:PHE110 4.6 10.9 1.0
CA A:VAL105 4.6 9.8 1.0
HB2 A:PRO104 4.7 16.0 1.0
HG21 A:VAL105 4.7 16.1 1.0
HB2 A:ALA109 4.7 14.0 1.0
HE21 A:GLN97 4.7 34.8 1.0
N A:PRO98 4.8 13.4 1.0
HG2 A:PRO98 4.8 25.0 1.0
HD2 A:PRO102 4.8 55.8 1.0
CD A:GLN97 4.9 31.9 1.0
HG22 A:VAL105 4.9 16.1 1.0
N A:PRO104 4.9 15.3 1.0
CG A:PRO98 5.0 20.8 1.0
O A:ALA109 5.0 10.3 1.0
CG A:PRO102 5.0 32.9 1.0

Chlorine binding site 2 out of 8 in 8ckn

Go back to Chlorine Binding Sites List in 8ckn
Chlorine binding site 2 out of 8 in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:6.3
occ:0.64
CL A:CL505 0.0 6.3 0.6
CL A:CL505 1.9 6.8 0.4
HH21 A:ARG415 3.2 33.8 1.0
HH22 A:ARG415 3.4 33.8 1.0
NH2 A:ARG415 3.6 28.2 1.0
HB1 A:ALA393 4.7 16.8 1.0
CZ A:ARG415 4.9 25.2 1.0

Chlorine binding site 3 out of 8 in 8ckn

Go back to Chlorine Binding Sites List in 8ckn
Chlorine binding site 3 out of 8 in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:6.8
occ:0.36
CL A:CL505 0.0 6.8 0.4
CL A:CL505 1.9 6.3 0.6
HH22 A:ARG415 2.1 33.8 1.0
NH2 A:ARG415 2.7 28.2 1.0
HH21 A:ARG415 2.7 33.8 1.0
O A:HOH825 3.7 17.5 0.5
HB3 A:PRO413 3.7 11.6 1.0
CZ A:ARG415 4.0 25.2 1.0
HB2 A:PRO413 4.0 11.6 1.0
HH12 A:ARG415 4.2 19.6 1.0
CB A:PRO413 4.3 9.7 1.0
NH1 A:ARG415 4.5 16.4 1.0
HB1 A:ALA393 4.7 16.8 1.0
HG3 A:PRO413 4.7 14.1 1.0
HB2 A:ALA393 4.9 16.8 1.0
HE A:ARG415 5.0 32.4 1.0
HB3 A:ALA393 5.0 16.8 1.0

Chlorine binding site 4 out of 8 in 8ckn

Go back to Chlorine Binding Sites List in 8ckn
Chlorine binding site 4 out of 8 in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl506

b:20.7
occ:1.00
HD2 A:ARG401 2.4 36.9 1.0
HH11 A:ARG401 2.5 42.6 1.0
HD2 A:LYS410 2.6 27.0 1.0
O A:HOH916 2.9 27.2 1.0
HD3 A:LYS410 3.2 27.0 1.0
HB2 A:ARG401 3.2 15.6 1.0
NH1 A:ARG401 3.3 35.5 1.0
CD A:LYS410 3.3 22.5 1.0
CD A:ARG401 3.3 30.8 1.0
HG2 A:LYS410 3.7 18.6 1.0
HG3 A:ARG401 3.7 23.1 1.0
HH12 A:ARG401 3.8 42.6 1.0
HD3 A:ARG401 3.8 36.9 1.0
CG A:ARG401 3.9 19.3 1.0
CB A:ARG401 4.0 13.0 1.0
CG A:LYS410 4.1 15.5 1.0
CZ A:ARG401 4.2 55.5 1.0
NE A:ARG401 4.2 48.2 1.0
HZ2 A:LYS410 4.2 44.6 1.0
HB3 A:LYS410 4.3 13.4 1.0
CE A:LYS410 4.5 29.9 1.0
HB3 A:ARG401 4.6 15.6 1.0
NZ A:LYS410 4.7 37.2 1.0
HA A:ARG401 4.7 15.0 1.0
HZ3 A:LYS410 4.7 44.6 1.0
CB A:LYS410 4.8 11.2 1.0
HE3 A:LYS410 4.8 35.9 1.0
HG2 A:ARG401 4.8 23.1 1.0
HG3 A:LYS410 4.9 18.6 1.0
HE A:ARG401 5.0 57.8 1.0
CA A:ARG401 5.0 12.5 1.0

Chlorine binding site 5 out of 8 in 8ckn

Go back to Chlorine Binding Sites List in 8ckn
Chlorine binding site 5 out of 8 in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:17.2
occ:0.57
CL A:CL507 0.0 17.2 0.6
CL A:CL507 2.4 16.1 0.4
O A:HOH830 2.8 33.9 1.0
HH12 A:ARG139 2.9 33.6 1.0
HA3 A:GLY381 2.9 8.9 1.0
O A:HOH1009 3.6 38.1 1.0
HH22 A:ARG139 3.6 41.8 1.0
NH1 A:ARG139 3.7 28.0 1.0
HA A:LEU378 3.9 10.3 1.0
CA A:GLY381 3.9 7.5 1.0
HB3 A:PRO286 4.0 23.0 1.0
O A:THR377 4.0 9.9 1.0
HD23 A:LEU378 4.1 27.3 1.0
HD12 A:ILE289 4.1 11.6 1.0
HH11 A:ARG139 4.2 33.6 1.0
HA2 A:GLY381 4.2 8.9 1.0
H A:GLY381 4.3 8.8 1.0
HD13 A:ILE289 4.3 11.6 1.0
NH2 A:ARG139 4.3 34.9 1.0
O A:HOH612 4.4 47.3 1.0
HA A:PRO286 4.5 17.1 1.0
CZ A:ARG139 4.5 23.2 1.0
N A:GLY381 4.6 7.3 1.0
C A:GLY381 4.6 10.2 1.0
CD1 A:ILE289 4.7 9.7 1.0
C A:THR377 4.8 10.0 1.0
CA A:LEU378 4.8 8.6 1.0
HD3 A:PRO286 4.8 21.6 1.0
CB A:PRO286 4.8 19.1 1.0
H A:GLU382 4.9 12.1 1.0
HG2 A:GLU382 4.9 21.1 1.0
O A:HOH644 4.9 24.2 1.0
O A:LEU378 4.9 10.6 1.0
OE2 A:GLU382 5.0 21.0 1.0
N A:GLU382 5.0 10.1 1.0
HG21 A:ILE289 5.0 14.9 1.0
CD2 A:LEU378 5.0 22.8 1.0

Chlorine binding site 6 out of 8 in 8ckn

Go back to Chlorine Binding Sites List in 8ckn
Chlorine binding site 6 out of 8 in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl507

b:16.1
occ:0.43
CL A:CL507 0.0 16.1 0.4
CL A:CL507 2.4 17.2 0.6
HD3 A:PRO286 3.1 21.6 1.0
HA A:ASP284 3.2 20.4 1.0
HD12 A:ILE289 3.3 11.6 1.0
HA3 A:GLY381 3.4 8.9 1.0
O A:HOH1009 3.5 38.1 1.0
O A:HOH612 3.5 47.3 1.0
O A:HOH685 3.8 18.9 1.0
H A:ASN285 3.9 18.8 1.0
HA2 A:GLY381 3.9 8.9 1.0
CD A:PRO286 3.9 18.0 1.0
H A:ASP284 4.0 15.1 1.0
HB3 A:PRO286 4.0 23.0 1.0
CD1 A:ILE289 4.0 9.7 1.0
CA A:ASP284 4.0 17.0 1.0
HD11 A:ILE289 4.0 11.6 1.0
CA A:GLY381 4.1 7.5 1.0
HD13 A:ILE289 4.1 11.6 1.0
HA A:PRO286 4.1 17.1 1.0
N A:ASN285 4.2 15.7 1.0
N A:PRO286 4.3 15.1 1.0
HG3 A:PRO286 4.3 33.8 1.0
C A:ASP284 4.3 21.4 1.0
HD22 A:ASN385 4.3 25.8 0.5
N A:ASP284 4.4 12.6 1.0
CG A:PRO286 4.5 28.2 1.0
CB A:PRO286 4.5 19.1 1.0
CA A:PRO286 4.5 14.2 1.0
HH12 A:ARG139 4.5 33.6 1.0
HD2 A:PRO286 4.7 21.6 1.0
C A:GLY381 4.7 10.2 1.0
C A:ASN285 4.8 12.8 1.0
OD2 A:ASP284 4.9 55.2 1.0
O A:GLY381 4.9 10.3 1.0
ND2 A:ASN385 5.0 21.5 0.5

Chlorine binding site 7 out of 8 in 8ckn

Go back to Chlorine Binding Sites List in 8ckn
Chlorine binding site 7 out of 8 in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl508

b:26.0
occ:1.00
HG2 A:ARG152 3.1 20.3 1.0
O A:HOH819 3.2 27.5 0.5
O A:HOH870 3.5 28.4 1.0
HE A:ARG152 3.8 39.0 1.0
CG A:ARG152 4.0 16.9 1.0
HA A:ARG152 4.3 19.8 1.0
HB3 A:ARG152 4.3 18.1 1.0
NE A:ARG152 4.4 32.5 1.0
HD2 A:ARG152 4.5 25.3 1.0
CD A:ARG152 4.6 21.1 1.0
O A:HOH819 4.6 20.0 0.5
HG3 A:ARG152 4.6 20.3 1.0
CB A:ARG152 4.6 15.1 1.0
O A:HOH990 4.9 30.0 1.0
CA A:ARG152 5.0 16.5 1.0

Chlorine binding site 8 out of 8 in 8ckn

Go back to Chlorine Binding Sites List in 8ckn
Chlorine binding site 8 out of 8 in the Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Cytochrome P450 CYP143A1 (RV1785C) From Mycobacterium Tuberculosis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl509

b:22.1
occ:1.00
HE1 A:TRP357 3.0 19.5 1.0
O A:HOH881 3.2 26.4 1.0
HH21 A:ARG85 3.4 21.0 1.0
HZ2 A:TRP357 3.4 25.3 1.0
NE1 A:TRP357 3.6 16.3 1.0
HH22 A:ARG85 3.9 21.0 1.0
NH2 A:ARG85 4.0 17.5 1.0
CZ2 A:TRP357 4.0 21.1 1.0
CE2 A:TRP357 4.1 17.2 1.0
CD1 A:TRP357 4.7 12.5 1.0
HD1 A:TRP357 4.9 15.0 1.0

Reference:

I.R.Selvam, I.R.Selvam. N/A N/A.
Page generated: Sun Jul 13 10:13:24 2025

Last articles

Na in 5Y07
Na in 5XVD
Na in 5XXS
Na in 5XUZ
Na in 5XU8
Na in 5XUS
Na in 5XPF
Na in 5XUU
Na in 5XUT
Na in 5X8F
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy