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Iron in PDB 6e35: Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160

Enzymatic activity of Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160

All present enzymatic activity of Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160:
1.13.11.52;

Protein crystallography data

The structure of Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160, PDB code: 6e35 was solved by F.Forouhar, A.Lewis-Ballester, S.Lew, S.Karkashon, J.Seetharaman, C.Lu, M.Hussain, S.-R.Yeh, L.Tong, Northeast Structural Genomics Consortium(Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.70 / 2.41
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.770, 90.302, 136.766, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23.6

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160 (pdb code 6e35). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160, PDB code: 6e35:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6e35

Go back to Iron Binding Sites List in 6e35
Iron binding site 1 out of 2 in the Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:39.6
occ:1.00
 FE A:HEM501 0.0 39.6 1.0
C A:CYN502 1.8 31.2 1.0
NC A:HEM501 2.0 39.8 1.0
NB A:HEM501 2.1 37.9 1.0
NA A:HEM501 2.1 35.5 1.0
ND A:HEM501 2.1 35.5 1.0
NE2 A:HIS346 2.2 27.8 1.0
N A:CYN502 2.9 32.4 1.0
C1B A:HEM501 3.0 35.5 1.0
C4A A:HEM501 3.0 38.0 1.0
C1C A:HEM501 3.1 39.1 1.0
C4B A:HEM501 3.1 41.9 1.0
C4C A:HEM501 3.1 40.8 1.0
CE1 A:HIS346 3.1 31.5 1.0
C1D A:HEM501 3.1 39.6 1.0
C1A A:HEM501 3.2 34.5 1.0
C4D A:HEM501 3.2 34.8 1.0
CD2 A:HIS346 3.2 35.3 1.0
CHB A:HEM501 3.4 34.3 1.0
CHC A:HEM501 3.5 39.0 1.0
CHD A:HEM501 3.5 34.2 1.0
CHA A:HEM501 3.7 33.6 1.0
C2B A:HEM501 4.3 35.4 1.0
ND1 A:HIS346 4.3 30.8 1.0
C2C A:HEM501 4.3 40.9 1.0
C3A A:HEM501 4.3 37.7 1.0
C3B A:HEM501 4.3 38.4 1.0
C3C A:HEM501 4.3 39.8 1.0
C2A A:HEM501 4.3 33.4 1.0
C2D A:HEM501 4.3 43.3 1.0
CG A:HIS346 4.4 28.0 1.0
C3D A:HEM501 4.4 40.3 1.0
CD1 A:TRP503 4.8 43.5 1.0

Iron binding site 2 out of 2 in 6e35

Go back to Iron Binding Sites List in 6e35
Iron binding site 2 out of 2 in the Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:39.5
occ:1.00
 FE B:HEM501 0.0 39.5 1.0
C B:CYN502 1.8 39.0 1.0
NB B:HEM501 1.9 36.4 1.0
NC B:HEM501 2.1 38.7 1.0
NA B:HEM501 2.1 38.2 1.0
ND B:HEM501 2.2 37.6 1.0
NE2 B:HIS346 2.2 36.5 1.0
N B:CYN502 2.9 31.1 1.0
CE1 B:HIS346 3.0 34.1 1.0
C1B B:HEM501 3.0 37.1 1.0
C4A B:HEM501 3.0 33.9 1.0
C4B B:HEM501 3.0 36.9 1.0
C1C B:HEM501 3.1 40.0 1.0
C1D B:HEM501 3.1 39.4 1.0
C4C B:HEM501 3.1 37.3 1.0
C1A B:HEM501 3.2 36.8 1.0
C4D B:HEM501 3.3 37.0 1.0
CHB B:HEM501 3.3 44.5 1.0
CD2 B:HIS346 3.4 40.3 1.0
CHC B:HEM501 3.4 32.2 1.0
CHD B:HEM501 3.5 35.9 1.0
CHA B:HEM501 3.7 39.9 1.0
ND1 B:HIS346 4.2 41.6 1.0
C2B B:HEM501 4.2 36.0 1.0
C3B B:HEM501 4.2 37.4 1.0
C3A B:HEM501 4.2 36.7 1.0
C2C B:HEM501 4.3 45.5 1.0
C2A B:HEM501 4.3 34.4 1.0
C3C B:HEM501 4.3 37.1 1.0
C2D B:HEM501 4.4 39.6 1.0
CG B:HIS346 4.4 41.5 1.0
C3D B:HEM501 4.4 34.1 1.0
CD1 B:TRP503 4.6 40.7 1.0
NE1 B:TRP503 4.9 37.1 1.0

Reference:

F.Forouhar, A.Lewis-Ballester, S.Lew, S.Karkashon, J.Seetharaman, C.Lu, M.Hussain, S.-R.Yeh, L.Tong. Crystal Structure of Human Indoleamime 2,3-Dioxygenase (IDO1) in Complex with L-Trp and Cyanide, Northeast Structural Genomics Target HR6160 To Be Published.
Page generated: Tue Aug 6 17:12:51 2024

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