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Manganese in PDB 2nw9: Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13

Protein crystallography data

The structure of Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13, PDB code: 2nw9 was solved by F.Forouhar, J.L.R.Anderson, C.G.Mowat, C.Bruckmann, S.J.Thackray, J.Seetharaman, C.K.Ho, L.C.Ma, K.Cunningham, H.Janjua, L.Zhao, R.Xiao, J.Liu, M.C.Baran, T.B.Acton, B.Rost, G.T.Montelione, S.K.Champman, 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) 26.38 / 1.80
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.212, 114.212, 96.095, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 18.4

Other elements in 2nw9:

The structure of Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Iron (Fe) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13 (pdb code 2nw9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13, PDB code: 2nw9:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 2nw9

Go back to Manganese Binding Sites List in 2nw9
Manganese binding site 1 out of 2 in the Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn307

b:36.8
occ:1.00
OE1 B:GLU207 2.2 16.0 1.0
O B:HOH693 2.2 27.6 1.0
O B:HOH681 2.4 35.4 1.0
O B:HOH510 2.4 26.2 1.0
O B:HOH721 2.4 32.2 1.0
O B:HOH498 2.5 29.5 1.0
CD B:GLU207 3.1 17.4 1.0
OE2 B:GLU207 3.4 16.7 1.0
O B:HOH443 4.0 18.3 1.0
O B:HOH421 4.1 18.1 1.0
O B:HOH439 4.4 19.0 1.0
O B:HOH646 4.4 47.9 1.0
CG B:GLU207 4.5 15.8 1.0
CB B:PRO204 4.6 17.9 1.0
CA B:PRO204 4.6 16.2 1.0
CB B:GLU207 4.8 12.7 1.0
O B:HOH695 4.9 51.0 1.0

Manganese binding site 2 out of 2 in 2nw9

Go back to Manganese Binding Sites List in 2nw9
Manganese binding site 2 out of 2 in the Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Tryptophan 2,3-Dioxygenase (Tdo) From Xanthomonas Campestris in Complex with Ferrous Heme and 6-Fluoro-Tryptophan. Northeast Structural Genomics Target XCR13 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn308

b:40.0
occ:1.00
O B:HOH618 2.3 29.1 1.0
O B:HOH687 2.3 35.5 1.0
CA B:GLY283 4.2 14.7 1.0
O B:GLY283 4.4 15.3 1.0
O B:VAL282 4.7 17.7 1.0
C B:GLY283 4.8 15.5 1.0

Reference:

F.Forouhar, J.L.Anderson, C.G.Mowat, S.M.Vorobiev, A.Hussain, M.Abashidze, C.Bruckmann, S.J.Thackray, J.Seetharaman, T.Tucker, R.Xiao, L.C.Ma, L.Zhao, T.B.Acton, G.T.Montelione, S.K.Chapman, L.Tong. Molecular Insights Into Substrate Recognition and Catalysis By Tryptophan 2,3-Dioxygenase. Proc.Natl.Acad.Sci.Usa V. 104 473 2007.
ISSN: ISSN 0027-8424
PubMed: 17197414
DOI: 10.1073/PNAS.0610007104
Page generated: Sat Oct 5 14:40:40 2024

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