Atomistry » Chlorine » PDB 3qvj-3r3x » 3r1j
Atomistry »
  Chlorine »
    PDB 3qvj-3r3x »
      3r1j »

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

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy