Atomistry » Iron » PDB 5sx3-5tia » 5tia
Atomistry »
  Iron »
    PDB 5sx3-5tia »
      5tia »

Iron in PDB 5tia: Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161

Enzymatic activity of Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161

All present enzymatic activity of Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161:
1.13.11.11;

Protein crystallography data

The structure of Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161, PDB code: 5tia was solved by F.Forouhar, A.Lewis-Ballester, S.Lew, S.Karkashon, J.Seetharaman, S.R.Yeh, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.13 / 2.44
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 144.359, 153.561, 88.163, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 23

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161 (pdb code 5tia). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161, PDB code: 5tia:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 5tia

Go back to Iron Binding Sites List in 5tia
Iron binding site 1 out of 4 in the Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161


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 Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:48.1
occ:1.00
 FE A:HEM401 0.0 48.1 1.0
NA A:HEM401 2.1 64.3 1.0
NC A:HEM401 2.1 43.9 1.0
ND A:HEM401 2.1 48.9 1.0
NB A:HEM401 2.1 49.0 1.0
NE2 A:HIS328 2.4 45.7 1.0
C1A A:HEM401 3.1 61.9 1.0
C1D A:HEM401 3.1 47.8 1.0
C4D A:HEM401 3.1 50.7 1.0
C4C A:HEM401 3.1 36.9 1.0
C4A A:HEM401 3.1 57.3 1.0
C1C A:HEM401 3.1 44.7 1.0
C1B A:HEM401 3.1 47.8 1.0
C4B A:HEM401 3.1 53.9 1.0
CE1 A:HIS328 3.2 47.9 1.0
CHD A:HEM401 3.4 40.3 1.0
CHA A:HEM401 3.4 54.5 1.0
CHB A:HEM401 3.4 54.0 1.0
CD2 A:HIS328 3.5 46.9 1.0
CHC A:HEM401 3.5 44.4 1.0
CD1 A:TRP402 4.3 54.2 1.0
C2A A:HEM401 4.3 63.9 1.0
C3A A:HEM401 4.3 60.8 1.0
C3D A:HEM401 4.3 47.5 1.0
C2D A:HEM401 4.3 46.1 1.0
C3C A:HEM401 4.3 39.4 1.0
C2C A:HEM401 4.3 35.8 1.0
C2B A:HEM401 4.3 48.0 1.0
C3B A:HEM401 4.3 53.0 1.0
ND1 A:HIS328 4.4 49.3 1.0
NE1 A:TRP402 4.4 50.5 1.0
CG A:HIS328 4.5 41.9 1.0
CA A:GLY152 4.7 51.9 1.0
CG2 A:VAL332 4.8 56.1 1.0
N A:GLY152 4.8 58.9 1.0

Iron binding site 2 out of 4 in 5tia

Go back to Iron Binding Sites List in 5tia
Iron binding site 2 out of 4 in the Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161


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 Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe401

b:43.5
occ:1.00
 FE B:HEM401 0.0 43.5 1.0
NB B:HEM401 2.0 41.1 1.0
NA B:HEM401 2.0 46.2 1.0
NC B:HEM401 2.1 44.7 1.0
ND B:HEM401 2.1 39.9 1.0
NE2 B:HIS328 2.4 40.0 1.0
C1B B:HEM401 3.0 36.1 1.0
C4A B:HEM401 3.0 37.6 1.0
CE1 B:HIS328 3.0 42.7 1.0
C4B B:HEM401 3.1 38.6 1.0
C4C B:HEM401 3.1 40.0 1.0
C1D B:HEM401 3.1 36.9 1.0
C1A B:HEM401 3.1 42.9 1.0
C4D B:HEM401 3.1 40.7 1.0
C1C B:HEM401 3.1 43.6 1.0
O B:HOH533 3.3 50.6 1.0
CHB B:HEM401 3.4 34.1 1.0
CHD B:HEM401 3.4 36.0 1.0
CHC B:HEM401 3.5 40.4 1.0
CHA B:HEM401 3.5 41.6 1.0
CD2 B:HIS328 3.5 43.5 1.0
C2B B:HEM401 4.3 37.7 1.0
C3A B:HEM401 4.3 39.6 1.0
ND1 B:HIS328 4.3 45.9 1.0
C3B B:HEM401 4.3 36.2 1.0
C2A B:HEM401 4.3 40.6 1.0
C3C B:HEM401 4.3 35.8 1.0
C2D B:HEM401 4.3 42.6 1.0
C3D B:HEM401 4.3 43.7 1.0
C2C B:HEM401 4.3 39.6 1.0
CD1 B:TRP402 4.4 49.9 1.0
NE1 B:TRP402 4.4 46.6 1.0
CG B:HIS328 4.5 43.7 1.0
CG2 B:VAL332 4.8 41.2 1.0

Iron binding site 3 out of 4 in 5tia

Go back to Iron Binding Sites List in 5tia
Iron binding site 3 out of 4 in the Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe401

b:43.7
occ:1.00
 FE C:HEM401 0.0 43.7 1.0
NC C:HEM401 2.0 39.7 1.0
NB C:HEM401 2.1 40.6 1.0
NA C:HEM401 2.1 51.4 1.0
ND C:HEM401 2.1 36.4 1.0
NE2 C:HIS328 2.4 38.0 1.0
C1C C:HEM401 3.0 41.1 1.0
C4B C:HEM401 3.0 44.2 1.0
C1A C:HEM401 3.1 48.8 1.0
C4D C:HEM401 3.1 39.2 1.0
C4C C:HEM401 3.1 44.4 1.0
C1B C:HEM401 3.1 49.8 1.0
CE1 C:HIS328 3.1 38.0 1.0
C1D C:HEM401 3.2 43.4 1.0
C4A C:HEM401 3.2 47.5 1.0
CHC C:HEM401 3.3 40.5 1.0
CHA C:HEM401 3.4 37.1 1.0
O C:HOH520 3.4 52.4 1.0
CD2 C:HIS328 3.5 45.8 1.0
CHD C:HEM401 3.5 39.1 1.0
CHB C:HEM401 3.5 46.2 1.0
C2C C:HEM401 4.2 43.6 1.0
C3B C:HEM401 4.3 51.2 1.0
C3C C:HEM401 4.3 37.7 1.0
C2A C:HEM401 4.3 46.3 1.0
C2B C:HEM401 4.3 50.8 1.0
C3D C:HEM401 4.3 44.1 1.0
ND1 C:HIS328 4.3 44.9 1.0
C2D C:HEM401 4.3 45.5 1.0
C3A C:HEM401 4.4 43.9 1.0
CD1 C:TRP402 4.4 55.5 1.0
CG C:HIS328 4.5 44.4 1.0
NE1 C:TRP402 4.5 53.9 1.0
CG2 C:VAL332 4.7 36.3 1.0

Iron binding site 4 out of 4 in 5tia

Go back to Iron Binding Sites List in 5tia
Iron binding site 4 out of 4 in the Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Human Tdo in Complex with Trp, Northeast Structural Genomics Consortium Target HR6161 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Fe401

b:44.9
occ:1.00
 FE D:HEM401 0.0 44.9 1.0
NB D:HEM401 2.0 43.5 1.0
NC D:HEM401 2.0 47.3 1.0
NA D:HEM401 2.1 43.1 1.0
ND D:HEM401 2.1 41.4 1.0
NE2 D:HIS328 2.4 37.4 1.0
C1B D:HEM401 3.0 39.7 1.0
C4B D:HEM401 3.1 41.4 1.0
C4C D:HEM401 3.1 40.8 1.0
C1D D:HEM401 3.1 41.4 1.0
C1C D:HEM401 3.1 35.5 1.0
C4A D:HEM401 3.1 40.0 1.0
C4D D:HEM401 3.1 40.7 1.0
C1A D:HEM401 3.1 40.4 1.0
CE1 D:HIS328 3.3 38.1 1.0
CHD D:HEM401 3.4 46.0 1.0
O D:HOH548 3.4 43.5 1.0
CD2 D:HIS328 3.4 45.0 1.0
CHB D:HEM401 3.4 37.0 1.0
CHC D:HEM401 3.4 35.0 1.0
CHA D:HEM401 3.5 42.5 1.0
C2B D:HEM401 4.3 44.2 1.0
C3B D:HEM401 4.3 41.4 1.0
C3C D:HEM401 4.3 39.4 1.0
C2C D:HEM401 4.3 38.2 1.0
C2D D:HEM401 4.3 39.9 1.0
C3D D:HEM401 4.3 41.4 1.0
C3A D:HEM401 4.3 38.5 1.0
C2A D:HEM401 4.3 40.6 1.0
CD1 D:TRP402 4.4 37.6 1.0
ND1 D:HIS328 4.5 43.2 1.0
NE1 D:TRP402 4.5 37.9 1.0
CG D:HIS328 4.5 41.0 1.0
CG2 D:VAL332 4.8 44.1 1.0

Reference:

A.Lewis-Ballester, F.Forouhar, S.M.Kim, S.Lew, Y.Wang, S.Karkashon, J.Seetharaman, D.Batabyal, B.Y.Chiang, M.Hussain, M.A.Correia, S.R.Yeh, L.Tong. Molecular Basis For Catalysis and Substrate-Mediated Cellular Stabilization of Human Tryptophan 2,3-Dioxygenase. Sci Rep V. 6 35169 2016.
ISSN: ESSN 2045-2322
PubMed: 27762317
DOI: 10.1038/SREP35169
Page generated: Wed Aug 6 01:40:27 2025

Last articles

Xe in 7B2C
Xe in 7SZG
Xe in 7B2H
Xe in 7SHW
Xe in 6AYK
Xe in 6QII
Xe in 6L9X
Xe in 5NSW
Xe in 4ZZC
Xe in 6FY9
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy