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Iron in PDB 3r1j: Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form

Enzymatic activity of Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form

All present enzymatic activity of Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form:
1.14.11.17;

Protein crystallography data

The structure of Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form, PDB code: 3r1j was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.78 / 2.05
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 70.950, 105.310, 89.250, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 20

Other elements in 3r1j:

The structure of Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form (pdb code 3r1j). 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 Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form, PDB code: 3r1j:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 3r1j

Go back to Iron Binding Sites List in 3r1j
Iron binding site 1 out of 2 in the Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form


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 Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe299

b:32.2
occ:1.00
 O A:HOH325 2.0 19.9 1.0
OD1 A:ASP101 2.1 22.9 1.0
NE2 A:HIS253 2.1 21.1 1.0
NE2 A:HIS99 2.2 16.4 1.0
O A:HOH448 2.3 17.6 1.0
O A:HOH449 2.4 24.9 1.0
CE1 A:HIS253 2.9 20.1 1.0
CG A:ASP101 3.1 20.9 1.0
CE1 A:HIS99 3.1 18.9 1.0
CD2 A:HIS99 3.2 15.8 1.0
CD2 A:HIS253 3.2 19.4 1.0
OD2 A:ASP101 3.4 27.4 1.0
ND1 A:HIS253 4.1 18.9 1.0
O A:HOH352 4.1 35.0 1.0
ND1 A:HIS99 4.2 18.4 1.0
CG A:HIS253 4.3 17.4 1.0
CG A:HIS99 4.3 16.0 1.0
O A:HOH375 4.3 12.4 1.0
CB A:ASP101 4.5 16.8 1.0
NH1 A:ARG268 4.7 46.6 1.0
CA A:ASP101 4.8 16.3 1.0

Iron binding site 2 out of 2 in 3r1j

Go back to Iron Binding Sites List in 3r1j
Iron binding site 2 out of 2 in the Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form


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 Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe300

b:39.8
occ:1.00
 O B:HOH430 2.0 28.5 1.0
NE2 B:HIS253 2.1 20.8 1.0
NE2 B:HIS99 2.2 18.3 1.0
OD1 B:ASP101 2.2 31.0 1.0
O B:HOH429 2.4 22.1 1.0
CE1 B:HIS253 2.9 21.1 1.0
CD2 B:HIS99 3.1 19.3 1.0
CE1 B:HIS99 3.1 20.1 1.0
CD2 B:HIS253 3.2 20.0 1.0
CG B:ASP101 3.3 25.8 1.0
OD2 B:ASP101 3.6 33.7 1.0
O B:HOH319 4.1 29.1 1.0
ND1 B:HIS253 4.1 18.9 1.0
O B:HOH353 4.2 34.1 1.0
ND1 B:HIS99 4.2 17.9 1.0
CG B:HIS253 4.2 19.0 1.0
O B:HOH378 4.3 13.4 1.0
CG B:HIS99 4.3 17.4 1.0
NH1 B:ARG268 4.5 53.1 1.0
CB B:ASP101 4.6 21.8 1.0
CA B:ASP101 4.8 20.1 1.0

Reference:

L.Baugh, I.Phan, D.W.Begley, M.C.Clifton, B.Armour, D.M.Dranow, B.M.Taylor, M.M.Muruthi, J.Abendroth, J.W.Fairman, D.Fox, S.H.Dieterich, B.L.Staker, A.S.Gardberg, R.Choi, S.N.Hewitt, A.J.Napuli, J.Myers, L.K.Barrett, Y.Zhang, M.Ferrell, E.Mundt, K.Thompkins, N.Tran, S.Lyons-Abbott, A.Abramov, A.Sekar, D.Serbzhinskiy, D.Lorimer, G.W.Buchko, R.Stacy, L.J.Stewart, T.E.Edwards, W.C.Van Voorhis, P.J.Myler. Increasing the Structural Coverage of Tuberculosis Drug Targets. Tuberculosis (Edinb) V. 95 142 2015.
ISSN: ISSN 1472-9792
PubMed: 25613812
DOI: 10.1016/J.TUBE.2014.12.003
Page generated: Sun Aug 4 19:08:54 2024

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