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Chlorine in PDB 3c61: Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani

Enzymatic activity of Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani

All present enzymatic activity of Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani:
1.3.99.11;

Protein crystallography data

The structure of Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani, PDB code: 3c61 was solved by T.L.Arakaki, E.A.Merritt, Structural Genomics Of Pathogenic Protozoaconsortium (Sgpp), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.88 / 1.80
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 83.869, 83.869, 188.725, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 19.6

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani (pdb code 3c61). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani, PDB code: 3c61:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in 3c61

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Chlorine binding site 1 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


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 Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:30.9
occ:1.00
 N A:ARG58 3.1 23.4 1.0
N A:TYR59 3.5 21.8 1.0
CA A:PRO57 3.7 26.4 1.0
C A:PRO57 3.9 24.6 1.0
CG A:ARG58 4.0 24.3 1.0
CG2 A:THR56 4.0 30.0 1.0
CA A:ARG58 4.1 22.8 1.0
O A:TYR59 4.1 20.7 1.0
CB A:THR56 4.2 31.3 1.0
C A:ARG58 4.2 21.7 1.0
CB A:TYR59 4.3 21.7 1.0
CB A:PRO57 4.4 27.0 1.0
CA A:TYR59 4.4 21.4 1.0
CB A:ARG58 4.6 23.2 1.0
CA A:THR56 4.8 30.9 1.0
C A:TYR59 4.8 21.6 1.0
N A:PRO57 4.8 27.8 1.0
CD A:ARG58 5.0 26.9 1.0

Chlorine binding site 2 out of 13 in 3c61

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Chlorine binding site 2 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


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 Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl315

b:27.5
occ:1.00
 OH A:TYR83 2.9 21.3 1.0
O A:HOH613 3.1 29.9 1.0
O A:HOH656 3.2 35.0 1.0
N A:ASP89 3.5 24.4 1.0
OG1 A:THR34 3.7 19.1 1.0
CZ A:TYR83 3.7 19.7 1.0
CB A:THR34 3.8 18.7 1.0
CA A:HIS88 3.8 23.9 1.0
CG2 A:THR34 3.8 20.3 1.0
CE1 A:TYR83 3.8 19.6 1.0
ND1 A:HIS88 4.0 18.9 1.0
O A:GLN87 4.1 25.4 1.0
C A:HIS88 4.1 23.9 1.0
CB A:ASP89 4.2 25.2 1.0
CG2 A:VAL31 4.2 23.6 1.0
CA A:VAL31 4.4 21.6 1.0
CA A:ASP89 4.4 24.6 1.0
N A:HIS88 4.6 24.5 1.0
CG A:HIS88 4.6 21.6 1.0
C A:GLN87 4.6 25.7 1.0
CB A:HIS88 4.6 23.5 1.0
CE1 A:HIS88 4.7 19.6 1.0
O A:LEU30 4.7 20.9 1.0
CB A:VAL31 4.8 22.5 1.0
CG1 A:VAL31 4.9 22.7 1.0
N A:VAL31 4.9 21.1 1.0
CE2 A:TYR83 5.0 21.2 1.0

Chlorine binding site 3 out of 13 in 3c61

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Chlorine binding site 3 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


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 Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl316

b:32.8
occ:1.00
 N A:ALA61 3.2 20.2 1.0
CB A:ALA61 3.8 20.9 1.0
CA A:ARG60 3.8 21.2 1.0
C A:ARG60 4.0 20.3 1.0
CD A:ARG60 4.0 28.2 1.0
CA A:ALA61 4.1 19.8 1.0
O A:TYR59 4.1 20.7 1.0
CD1 A:TYR59 4.2 23.0 1.0
O A:HOH642 4.2 34.2 1.0
CE1 A:TYR59 4.4 23.1 1.0
O A:ALA61 4.6 19.2 1.0
N A:ARG60 4.6 20.2 1.0
C A:TYR59 4.7 21.6 1.0
CB A:ARG60 4.8 20.9 1.0
CG A:ARG60 4.9 24.5 1.0
C A:ALA61 4.9 19.0 1.0

Chlorine binding site 4 out of 13 in 3c61

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Chlorine binding site 4 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


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 Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl314

b:32.5
occ:1.00
 O3P B:FMN401 2.6 20.7 0.8
N B:ALA274 2.9 16.0 1.0
O B:VAL252 2.9 15.8 1.0
N B:THR273 3.3 13.7 1.0
CB B:ALA274 3.4 17.0 1.0
N B:GLY272 3.4 14.6 1.0
P B:FMN401 3.6 16.7 0.8
C B:GLY272 3.7 14.6 1.0
O B:HOH1006 3.7 13.9 1.0
CA B:ALA274 3.7 16.5 1.0
C B:VAL252 3.8 16.0 1.0
C B:THR273 3.8 15.1 1.0
CA B:THR273 3.9 15.2 1.0
N B:VAL252 3.9 16.3 1.0
CG1 B:VAL271 4.0 17.4 1.0
CB B:THR273 4.0 15.7 1.0
CA B:GLY272 4.0 14.2 1.0
O2P B:FMN401 4.1 18.4 0.8
CE1 B:TYR253 4.2 16.1 1.0
O1P B:FMN401 4.2 19.2 0.8
CA B:VAL252 4.3 16.5 1.0
O B:GLY272 4.4 14.2 1.0
C B:VAL271 4.4 15.2 1.0
CD1 B:TYR253 4.4 16.7 1.0
CA B:VAL271 4.5 15.7 1.0
CZ B:TYR253 4.5 18.3 1.0
C B:GLY251 4.6 16.6 1.0
N B:LEU275 4.6 17.9 1.0
N B:GLY251 4.7 16.1 1.0
C B:ALA274 4.8 17.6 1.0
CA B:GLY251 4.8 16.1 1.0
CB B:VAL252 4.8 17.4 1.0
N B:TYR253 4.8 16.5 1.0
OG1 B:THR273 4.9 16.1 1.0
CB B:VAL271 4.9 15.4 1.0
CG B:TYR253 4.9 15.7 1.0
OH B:TYR253 5.0 20.6 1.0
O5' B:FMN401 5.0 17.9 0.8
CA B:GLY223 5.0 15.1 1.0

Chlorine binding site 5 out of 13 in 3c61

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Chlorine binding site 5 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


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 Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl315

b:44.8
occ:1.00
 N B:ARG58 3.1 27.9 1.0
CA B:PRO57 3.5 30.4 1.0
N B:TYR59 3.7 26.4 1.0
C B:PRO57 3.8 29.1 1.0
CB B:PRO57 4.0 30.9 1.0
CG B:ARG58 4.1 29.1 1.0
CA B:ARG58 4.1 27.6 1.0
CG2 B:THR56 4.2 32.6 1.0
CB B:THR56 4.3 32.6 1.0
C B:ARG58 4.3 26.9 1.0
O B:TYR59 4.4 24.7 1.0
CB B:TYR59 4.5 25.8 1.0
CA B:TYR59 4.6 25.8 1.0
CB B:ARG58 4.7 28.3 1.0
CA B:THR56 4.8 32.4 1.0
N B:PRO57 4.8 30.9 1.0
CD B:ARG58 4.9 30.3 1.0
NE B:ARG58 4.9 29.6 1.0

Chlorine binding site 6 out of 13 in 3c61

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Chlorine binding site 6 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


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 Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl316

b:43.5
occ:1.00
 N B:TYR90 3.4 23.0 1.0
O B:HOH1084 3.8 33.1 1.0
CB B:TYR90 3.8 23.1 1.0
O B:HIS88 3.8 22.9 1.0
N B:GLY91 3.9 24.3 1.0
CA B:TYR90 4.0 22.8 1.0
NZ B:LYS121 4.1 30.8 1.0
CD1 B:TYR90 4.1 23.7 1.0
C B:ASP89 4.2 23.4 1.0
OD1 B:ASP89 4.3 28.1 1.0
CA B:ASP89 4.3 24.2 1.0
C B:TYR90 4.3 23.5 1.0
CG B:TYR90 4.5 22.7 1.0
C B:HIS88 4.8 22.8 1.0
O B:HOH1094 4.9 28.6 1.0
CA B:GLY91 4.9 24.7 1.0

Chlorine binding site 7 out of 13 in 3c61

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Chlorine binding site 7 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


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 Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl317

b:27.2
occ:1.00
 OH B:TYR83 3.0 18.8 1.0
O B:HOH1150 3.2 35.1 1.0
N B:ASP89 3.4 23.5 1.0
OG1 B:THR34 3.7 20.2 1.0
CG2 B:THR34 3.7 20.4 1.0
CB B:THR34 3.7 20.4 1.0
CA B:HIS88 3.8 22.1 1.0
CZ B:TYR83 3.8 20.0 1.0
ND1 B:HIS88 3.9 19.1 1.0
CE1 B:TYR83 3.9 20.7 1.0
O B:GLN87 4.0 23.6 1.0
C B:HIS88 4.1 22.8 1.0
CG2 B:VAL31 4.1 21.7 1.0
CB B:ASP89 4.2 24.9 1.0
CA B:VAL31 4.3 21.2 1.0
CA B:ASP89 4.4 24.2 1.0
N B:HIS88 4.5 22.1 1.0
C B:GLN87 4.5 23.2 1.0
CG B:HIS88 4.6 20.1 1.0
CB B:HIS88 4.6 21.1 1.0
CE1 B:HIS88 4.7 18.8 1.0
CB B:VAL31 4.7 21.5 1.0
O B:LEU30 4.8 19.4 1.0
N B:VAL31 4.9 20.7 1.0

Chlorine binding site 8 out of 13 in 3c61

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Chlorine binding site 8 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


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 Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl314

b:45.4
occ:1.00
 N C:ARG58 3.1 27.2 1.0
CA C:PRO57 3.4 30.4 1.0
N C:TYR59 3.7 25.5 1.0
C C:PRO57 3.7 28.9 1.0
OG1 C:THR56 3.8 34.2 1.0
CB C:PRO57 3.9 31.0 1.0
CG C:ARG58 4.1 28.3 1.0
CA C:ARG58 4.1 26.9 1.0
C C:ARG58 4.3 26.1 1.0
O C:TYR59 4.4 24.4 1.0
CB C:TYR59 4.5 25.3 1.0
CA C:TYR59 4.6 25.1 1.0
CB C:ARG58 4.7 27.6 1.0
N C:PRO57 4.7 31.3 1.0
CB C:THR56 4.8 33.5 1.0
CA C:THR56 4.9 33.1 1.0
NE C:ARG58 4.9 29.3 1.0
CD C:ARG58 4.9 29.4 1.0
O C:PRO57 5.0 27.4 1.0

Chlorine binding site 9 out of 13 in 3c61

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Chlorine binding site 9 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl315

b:27.3
occ:1.00
 OH C:TYR83 3.0 20.5 1.0
O C:HOH1099 3.2 37.8 1.0
N C:ASP89 3.4 22.7 1.0
OG1 C:THR34 3.7 19.9 1.0
CG2 C:THR34 3.7 19.2 1.0
CB C:THR34 3.7 20.4 1.0
CA C:HIS88 3.8 21.5 1.0
CZ C:TYR83 3.8 21.2 1.0
ND1 C:HIS88 3.9 18.6 1.0
CE1 C:TYR83 4.0 21.2 1.0
O C:GLN87 4.0 22.6 1.0
C C:HIS88 4.0 22.0 1.0
CG2 C:VAL31 4.1 21.0 1.0
CB C:ASP89 4.1 24.0 1.0
CA C:ASP89 4.4 23.6 1.0
CA C:VAL31 4.4 20.8 1.0
C C:GLN87 4.5 22.7 1.0
N C:HIS88 4.5 21.5 1.0
CG C:HIS88 4.6 19.9 1.0
CB C:HIS88 4.6 20.6 1.0
CE1 C:HIS88 4.7 17.7 1.0
CB C:VAL31 4.8 21.2 1.0
CG C:GLN87 4.8 24.1 0.5
O C:LEU30 4.8 19.1 1.0
N C:VAL31 5.0 20.4 1.0

Chlorine binding site 10 out of 13 in 3c61

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Chlorine binding site 10 out of 13 in the Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of Dihydroorotate Dehydrogenase From Leishmania Donovani within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl316

b:34.0
occ:1.00
 O C:HOH1145 2.9 37.6 1.0
N C:GLU256 3.2 19.4 1.0
CB C:GLU256 3.6 21.1 1.0
OE1 C:GLU289 3.7 23.2 1.0
CB C:THR254 3.7 19.6 1.0
N C:GLY255 3.7 19.5 1.0
CB C:GLU289 3.8 22.2 1.0
OG1 C:THR254 3.9 18.7 1.0
CD C:GLU289 3.9 23.4 1.0
CA C:GLU256 4.0 19.7 1.0
CG C:GLU289 4.0 22.1 1.0
C C:GLY255 4.0 18.7 1.0
CA C:GLY255 4.1 18.9 1.0
C C:THR254 4.4 19.3 1.0
CG2 C:VAL293 4.4 25.0 1.0
CA C:THR254 4.6 19.2 1.0
CG2 C:THR254 4.6 19.1 1.0
OE2 C:GLU289 4.6 24.2 1.0
O C:GLU289 4.6 22.6 1.0
CA C:GLU289 4.7 22.2 1.0
C C:GLU289 4.9 22.0 1.0
CG C:GLU256 4.9 23.5 1.0

Reference:

T.L.Arakaki, E.A.Merritt, B.Ullman, P.A.Yates. Dihydroorotate Dehydrogenase From Leishmania Donovani. To Be Published.
Page generated: Sat Jul 20 16:52:23 2024

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