Chlorine in PDB 6e42: Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole

Enzymatic activity of Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole

All present enzymatic activity of Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole:
1.13.11.52;

Protein crystallography data

The structure of Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole, PDB code: 6e42 was solved by S.Luo, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.07 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.742, 197.878, 113.019, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 24

Other elements in 6e42:

The structure of Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole also contains other interesting chemical elements:

Iron (Fe) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole (pdb code 6e42). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole, PDB code: 6e42:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 1 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:39.8
occ:1.00
 CL A:HQJ502 0.0 39.8 1.0
CAB A:HQJ502 1.7 33.5 1.0
CAC A:HQJ502 2.7 31.5 1.0
CAG A:HQJ502 2.7 34.1 1.0
SG A:CYS129 3.4 33.8 1.0
CA A:GLY262 3.5 32.4 1.0
C A:GLY262 3.6 38.3 1.0
N A:SER263 3.8 35.0 1.0
CAD A:HQJ502 4.0 35.6 1.0
CAF A:HQJ502 4.0 34.4 1.0
O A:GLY262 4.0 37.7 1.0
CD1 A:LEU234 4.1 35.0 1.0
CA A:TYR126 4.2 34.2 1.0
N A:TYR126 4.3 31.8 1.0
CD2 A:LEU234 4.3 33.0 1.0
CAE A:HQJ502 4.5 33.2 1.0
CA A:SER263 4.6 39.2 1.0
C A:VAL125 4.6 30.7 1.0
CG A:LEU234 4.6 35.5 1.0
N A:GLY262 4.6 34.6 1.0
CB A:TYR126 4.6 31.5 1.0
CB A:LEU234 4.7 32.8 1.0
CD1 A:TYR126 4.8 34.6 1.0
C A:SER263 4.8 37.1 1.0
CE1 A:PHE164 4.8 32.4 1.0
O A:VAL125 4.9 28.7 1.0
O A:SER263 5.0 38.0 1.0

Chlorine binding site 2 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 2 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:42.7
occ:1.00
 CL A:HQJ503 0.0 42.7 1.0
CAB A:HQJ503 1.7 38.9 1.0
CAC A:HQJ503 2.7 38.0 1.0
CAG A:HQJ503 2.7 37.9 1.0
CB A:ALA210 3.4 39.8 1.0
CB A:ALA174 3.6 34.0 1.0
CE1 A:PHE270 3.6 38.0 1.0
CG1 A:VAL170 3.8 34.8 1.0
CD1 A:LEU342 3.8 38.1 1.0
CD1 A:PHE270 3.9 34.6 1.0
CD2 A:LEU342 4.0 34.9 1.0
CAF A:HQJ503 4.0 37.0 1.0
CAD A:HQJ503 4.0 40.5 1.0
CD2 A:LEU207 4.2 36.8 1.0
O A:VAL170 4.4 34.7 1.0
CAE A:HQJ503 4.5 37.6 1.0
CG A:LEU342 4.5 37.1 1.0
CBC A:HEM501 4.7 42.0 1.0
CZ A:PHE270 4.8 33.6 1.0
CA A:ALA210 4.8 39.8 1.0
CA A:ALA174 4.8 38.0 1.0

Chlorine binding site 3 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 3 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:45.0
occ:1.00
 CL A:HQJ504 0.0 45.0 1.0
CAB A:HQJ504 1.7 43.8 1.0
CAC A:HQJ504 2.7 52.3 1.0
CAG A:HQJ504 2.7 44.3 1.0
O A:CYS112 3.4 31.5 1.0
N A:ALA116 3.5 34.0 1.0
CA A:ALA116 3.7 36.5 1.0
CB A:ALA116 3.7 33.0 1.0
CAG A:HQJ505 3.9 50.9 1.0
CH2 A:TRP253 3.9 39.8 1.0
C A:SER115 3.9 33.5 1.0
CB A:SER115 4.0 32.8 1.0
CAF A:HQJ504 4.0 47.8 1.0
CAD A:HQJ504 4.0 54.0 1.0
CZ2 A:TRP253 4.0 37.8 1.0
C A:CYS112 4.3 33.3 1.0
CAB A:HQJ505 4.3 54.6 1.0
O A:LEU120 4.3 35.9 1.0
CD A:PRO122 4.3 33.6 1.0
O A:SER115 4.4 29.9 1.0
CA A:CYS112 4.5 37.0 1.0
CAF A:HQJ505 4.5 50.5 1.0
CAE A:HQJ504 4.5 50.2 1.0
CA A:SER115 4.6 34.6 1.0
CL A:HQJ505 4.6 58.8 1.0
CB A:CYS112 4.7 31.6 1.0
CG A:PRO122 4.7 31.6 1.0
CE2 A:PHE252 4.9 34.6 1.0
N A:PRO122 5.0 34.5 1.0

Chlorine binding site 4 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 4 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl505

b:58.8
occ:1.00
 CL A:HQJ505 0.0 58.8 1.0
CAB A:HQJ505 1.7 54.6 1.0
CAC A:HQJ505 2.6 51.9 1.0
CAG A:HQJ505 2.8 50.9 1.0
O B:ALA116 3.0 32.0 1.0
CA B:ALA116 3.6 33.1 1.0
C B:ALA116 3.7 29.3 1.0
CAC A:HQJ504 3.9 52.3 1.0
CAD A:HQJ505 3.9 54.6 1.0
CB B:ALA116 4.0 30.0 1.0
CAG B:HQJ504 4.0 39.5 1.0
CZ2 A:TRP253 4.1 37.8 1.0
CAF A:HQJ505 4.1 50.5 1.0
CA B:GLU119 4.1 30.7 1.0
CAF B:HQJ504 4.3 44.4 1.0
NAL A:HQJ504 4.3 52.5 1.0
CG B:GLU119 4.4 38.1 1.0
CAB A:HQJ504 4.4 43.8 1.0
CAD A:HQJ504 4.5 54.0 1.0
NE1 A:TRP253 4.5 37.2 1.0
CAE A:HQJ505 4.5 55.2 1.0
CAB B:HQJ504 4.6 40.8 1.0
CAH A:HQJ504 4.6 54.9 1.0
CB B:GLU119 4.6 32.3 1.0
CL A:HQJ504 4.6 45.0 1.0
CE2 A:TRP253 4.6 38.3 1.0
N B:GLU119 4.7 31.2 1.0
O B:SER115 4.7 29.6 1.0
CAH A:HQJ505 4.8 59.2 1.0
N B:ALA116 4.9 28.6 1.0
NAL A:HQJ505 4.9 50.4 1.0

Chlorine binding site 5 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 5 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:36.0
occ:1.00
 CL B:HQJ502 0.0 36.0 1.0
CAB B:HQJ502 1.7 29.5 1.0
CAG B:HQJ502 2.7 31.5 1.0
CAC B:HQJ502 2.7 27.8 1.0
SG B:CYS129 3.4 30.2 1.0
CA B:GLY262 3.5 32.1 1.0
C B:GLY262 3.6 38.8 1.0
N B:SER263 3.8 35.2 1.0
CAF B:HQJ502 4.0 36.0 1.0
CAD B:HQJ502 4.0 31.9 1.0
CD1 B:LEU234 4.0 32.1 1.0
O B:GLY262 4.1 35.5 1.0
CD2 B:LEU234 4.1 28.7 1.0
CA B:TYR126 4.3 32.6 1.0
N B:TYR126 4.4 30.1 1.0
CAE B:HQJ502 4.5 33.5 1.0
CG B:LEU234 4.5 33.1 1.0
CA B:SER263 4.6 34.4 1.0
N B:GLY262 4.7 32.6 1.0
CB B:TYR126 4.7 30.4 1.0
CE1 B:PHE164 4.7 32.1 1.0
CD1 B:TYR126 4.7 29.5 1.0
C B:VAL125 4.8 27.2 1.0
CB B:LEU234 4.8 36.3 1.0
C B:SER263 4.9 35.7 1.0

Chlorine binding site 6 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 6 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:43.2
occ:1.00
 CL B:HQJ503 0.0 43.2 1.0
CAB B:HQJ503 1.8 37.7 1.0
CAC B:HQJ503 2.7 36.2 1.0
CAG B:HQJ503 2.7 36.0 1.0
CD1 B:LEU342 3.5 29.9 1.0
CB B:ALA174 3.6 31.4 1.0
CB B:ALA210 3.6 29.2 1.0
CE1 B:PHE270 3.8 39.5 1.0
CG1 B:VAL170 3.9 32.4 1.0
CD1 B:PHE270 4.0 38.4 1.0
CAF B:HQJ503 4.0 33.6 1.0
CAD B:HQJ503 4.0 38.5 1.0
CD2 B:LEU342 4.0 28.3 1.0
CD2 B:LEU207 4.1 31.4 1.0
CG B:LEU342 4.4 36.1 1.0
CAE B:HQJ503 4.5 36.9 1.0
CBC B:HEM501 4.6 37.0 1.0
O B:VAL170 4.7 30.5 1.0
CA B:ALA174 4.8 35.1 1.0
CZ B:PHE270 4.9 35.5 1.0

Chlorine binding site 7 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 7 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:40.1
occ:1.00
 CL B:HQJ504 0.0 40.1 1.0
CAB B:HQJ504 1.8 40.8 1.0
CAC B:HQJ504 2.7 45.4 1.0
CAG B:HQJ504 2.8 39.5 1.0
O B:CYS112 3.3 32.4 1.0
N B:ALA116 3.5 28.6 1.0
CA B:ALA116 3.7 33.1 1.0
CB B:ALA116 3.8 30.0 1.0
C B:SER115 3.9 34.2 1.0
CB B:SER115 3.9 34.3 1.0
CH2 B:TRP253 3.9 39.5 1.0
CAG A:HQJ505 3.9 50.9 1.0
CZ2 B:TRP253 4.0 39.4 1.0
CAD B:HQJ504 4.0 48.6 1.0
CAF B:HQJ504 4.1 44.4 1.0
CD B:PRO122 4.2 35.5 1.0
O B:LEU120 4.2 34.5 1.0
C B:CYS112 4.2 29.6 1.0
CAF A:HQJ505 4.3 50.5 1.0
O B:SER115 4.3 29.6 1.0
CA B:CYS112 4.5 34.4 1.0
CA B:SER115 4.5 31.0 1.0
CAB A:HQJ505 4.5 54.6 1.0
CAE B:HQJ504 4.6 45.0 1.0
CG B:PRO122 4.7 31.8 1.0
CB B:CYS112 4.8 31.1 1.0
N B:PRO122 4.9 33.3 1.0

Chlorine binding site 8 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 8 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:51.3
occ:1.00
 CL B:HQJ505 0.0 51.3 1.0
CAB B:HQJ505 1.7 40.4 1.0
CAG B:HQJ505 2.7 43.8 1.0
CAC B:HQJ505 2.7 42.6 1.0
O B:HOH614 3.7 34.4 1.0
CAF B:HQJ505 4.0 44.6 1.0
O B:HIS215 4.0 34.4 1.0
CAD B:HQJ505 4.0 39.4 1.0
CB B:HIS215 4.5 34.4 1.0
CAE B:HQJ505 4.5 41.2 1.0
OD2 B:ASP219 4.5 36.5 1.0
C B:HIS215 4.5 35.2 1.0
CA B:GLN216 5.0 32.1 1.0
N B:GLN216 5.0 29.7 1.0

Chlorine binding site 9 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 9 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:39.3
occ:1.00
 CL C:HQJ502 0.0 39.3 1.0
CAB C:HQJ502 1.7 35.3 1.0
CAC C:HQJ502 2.7 33.9 1.0
CAG C:HQJ502 2.7 35.1 1.0
SG C:CYS129 3.4 35.3 1.0
CA C:GLY262 3.4 34.2 1.0
C C:GLY262 3.5 42.5 1.0
N C:SER263 3.7 40.3 1.0
CAD C:HQJ502 4.0 36.0 1.0
CAF C:HQJ502 4.0 34.5 1.0
O C:GLY262 4.1 39.1 1.0
CD1 C:LEU234 4.2 37.4 1.0
CD2 C:LEU234 4.2 41.3 1.0
CA C:TYR126 4.3 32.5 1.0
N C:TYR126 4.4 34.8 1.0
CAE C:HQJ502 4.5 35.2 1.0
CA C:SER263 4.6 40.4 1.0
N C:GLY262 4.6 31.9 1.0
CG C:LEU234 4.6 36.0 1.0
CB C:LEU234 4.7 34.6 1.0
C C:VAL125 4.7 33.0 1.0
CD1 C:TYR126 4.8 33.9 1.0
CE1 C:PHE164 4.8 34.6 1.0
C C:SER263 4.8 40.0 1.0
CB C:TYR126 4.8 37.7 1.0
O C:VAL125 4.9 31.7 1.0

Chlorine binding site 10 out of 16 in 6e42

Go back to Chlorine Binding Sites List in 6e42
Chlorine binding site 10 out of 16 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole


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 Human Indoleamine 2,3-Dioxygenase 1 (IDO1) in Complex with Ferric Heme and 4-Chlorophenyl Imidazole within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:49.1
occ:1.00
 CL C:HQJ503 0.0 49.1 1.0
CAB C:HQJ503 1.8 46.3 1.0
CAC C:HQJ503 2.7 40.7 1.0
CAG C:HQJ503 2.8 43.1 1.0
CB C:ALA210 3.5 39.6 1.0
CE1 C:PHE270 3.6 44.4 1.0
CB C:ALA174 3.7 41.6 1.0
CD1 C:LEU342 3.7 45.1 1.0
CG1 C:VAL170 3.8 40.6 1.0
CD1 C:PHE270 3.9 40.9 1.0
CD2 C:LEU342 4.0 40.2 1.0
CAD C:HQJ503 4.0 43.9 1.0
CAF C:HQJ503 4.1 38.5 1.0
CD2 C:LEU207 4.3 47.8 1.0
O C:VAL170 4.3 38.1 1.0
CG C:LEU342 4.5 44.4 1.0
CAE C:HQJ503 4.6 41.0 1.0
CZ C:PHE270 4.7 44.8 1.0
CA C:ALA210 4.9 45.7 1.0
CA C:ALA174 4.9 42.3 1.0

Reference:

S.Luo, K.Xu, S.Xiang, J.Chen, C.Chen, C.Guo, Y.Tong, L.Tong. High-Resolution Structures of Inhibitor Complexes of Human Indoleamine 2,3-Dioxygenase 1 in A New Crystal Form. Acta Crystallogr F Struct V. 74 717 2018BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 30387777
DOI: 10.1107/S2053230X18012955
Page generated: Sat Dec 12 12:54:37 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