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Chlorine 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:

Iron (Fe) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Alpha-Ketoglutarate-Dependent Taurine Dioxygenase From Mycobacterium Avium, Native Form, PDB code: 3r1j:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 3r1j

Go back to Chlorine Binding Sites List in 3r1j
Chlorine binding site 1 out of 3 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 Chlorine with other atoms in the Cl 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:Cl300

b:19.1
occ:0.50
O A:HOH370 3.0 18.0 1.0
NH1 A:ARG235 3.5 18.4 1.0
CD A:ARG235 3.5 18.1 1.0
CD2 A:LEU127 3.7 18.1 1.0
CD1 A:LEU127 4.1 16.8 1.0
CG A:LEU127 4.3 15.3 1.0
CB A:ARG235 4.3 16.9 1.0
CZ A:ARG235 4.4 22.4 1.0
NE A:ARG235 4.5 19.8 1.0
CG A:ARG235 4.6 18.7 1.0
OG1 A:THR233 4.8 12.6 1.0
O A:HOH461 4.9 19.0 1.0

Chlorine binding site 2 out of 3 in 3r1j

Go back to Chlorine Binding Sites List in 3r1j
Chlorine binding site 2 out of 3 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 Chlorine with other atoms in the Cl 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
A:Cl301

b:66.0
occ:1.00
NH2 A:ARG17 3.4 40.1 0.5
NE2 A:HIS49 3.5 40.8 1.0
NH1 A:ARG17 3.5 36.9 0.5
CE1 A:HIS49 3.6 42.1 1.0
CZ A:ARG17 3.9 37.7 0.5
CD A:ARG48 4.1 33.7 1.0
NH1 A:ARG48 4.2 37.0 1.0
NE A:ARG48 4.7 33.6 1.0
CD2 A:HIS49 4.8 41.0 1.0
CZ A:ARG48 4.8 37.0 1.0
ND1 A:HIS49 4.9 40.9 1.0

Chlorine binding site 3 out of 3 in 3r1j

Go back to Chlorine Binding Sites List in 3r1j
Chlorine binding site 3 out of 3 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 Chlorine with other atoms in the Cl binding site number 3 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:Cl301

b:22.0
occ:0.50
O B:HOH337 2.9 16.5 1.0
CD B:ARG235 3.4 22.7 1.0
NH2 B:ARG235 3.4 23.1 1.0
CD2 B:LEU127 3.6 19.1 1.0
CD1 B:LEU127 4.0 14.6 1.0
CG B:LEU127 4.1 18.0 1.0
CB B:ARG235 4.2 19.9 1.0
CZ B:ARG235 4.3 25.4 1.0
NE B:ARG235 4.3 24.6 1.0
CG B:ARG235 4.4 21.9 1.0
OG1 B:THR233 4.9 13.5 1.0
O B:HOH372 4.9 17.8 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: Sat Dec 12 10:06:00 2020

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