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Chlorine in PDB 4lgv: X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium

Enzymatic activity of X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium

All present enzymatic activity of X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium:
1.1.1.49;

Protein crystallography data

The structure of X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium, PDB code: 4lgv 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) 19.90 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.220, 170.210, 225.030, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 22.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium (pdb code 4lgv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium, PDB code: 4lgv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4lgv

Go back to Chlorine Binding Sites List in 4lgv
Chlorine binding site 1 out of 5 in the X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:53.8
occ:1.00
 N A:ASP20 3.3 34.6 1.0
CA A:GLY19 3.7 29.5 1.0
OD2 A:ASP20 3.9 59.3 1.0
CG A:ASP20 3.9 49.5 1.0
C A:GLY19 4.0 30.4 1.0
CB A:ASP20 4.2 41.2 1.0
CA A:ASP20 4.3 36.6 1.0
OD1 A:ASP20 4.4 55.6 1.0

Chlorine binding site 2 out of 5 in 4lgv

Go back to Chlorine Binding Sites List in 4lgv
Chlorine binding site 2 out of 5 in the X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:52.7
occ:1.00
 O B:HOH635 3.4 26.2 1.0
N B:HIS335 3.7 21.6 1.0
CA B:HIS334 4.0 21.0 1.0
ND1 B:HIS334 4.0 22.3 1.0
O B:HOH709 4.2 35.6 1.0
CB B:HIS334 4.2 21.2 1.0
C B:HIS334 4.4 21.6 1.0
CD2 B:HIS335 4.5 25.3 1.0
CB B:HIS335 4.5 22.5 1.0
CG B:HIS334 4.6 21.8 1.0
CA B:HIS335 4.7 22.0 1.0
CG B:HIS335 4.8 24.1 1.0

Chlorine binding site 3 out of 5 in 4lgv

Go back to Chlorine Binding Sites List in 4lgv
Chlorine binding site 3 out of 5 in the X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:52.2
occ:1.00
 N C:HIS335 3.4 20.9 1.0
O C:HOH614 3.7 22.9 1.0
CA C:HIS334 3.7 20.2 1.0
O C:HOH756 3.9 32.0 1.0
CB C:HIS334 3.9 20.8 1.0
ND1 C:HIS334 3.9 23.1 1.0
C C:HIS334 4.1 20.2 1.0
CB C:HIS335 4.2 23.4 1.0
CD2 C:HIS335 4.2 26.7 1.0
CA C:HIS335 4.3 22.1 1.0
CG C:HIS334 4.4 21.5 1.0
CG C:HIS335 4.5 26.1 1.0
O C:HIS335 4.9 21.7 1.0
N C:HIS334 5.0 19.4 1.0

Chlorine binding site 4 out of 5 in 4lgv

Go back to Chlorine Binding Sites List in 4lgv
Chlorine binding site 4 out of 5 in the X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl503

b:62.5
occ:1.00
 NH1 C:ARG317 3.2 29.6 1.0
NH2 C:ARG317 3.5 28.2 1.0
O C:GLN457 3.7 27.6 1.0
CZ C:ARG317 3.8 28.5 1.0
CG C:TRP441 3.8 30.1 1.0
CD1 C:TRP441 3.9 31.3 1.0
CD2 C:TRP441 3.9 28.8 1.0
NE1 C:TRP441 4.0 30.2 1.0
CE2 C:TRP441 4.0 29.6 1.0
CB C:TRP456 4.1 27.4 1.0
O C:TRP456 4.1 29.4 1.0
C C:GLN457 4.2 31.7 1.0
C C:TRP456 4.4 29.5 1.0
CB C:TRP441 4.5 31.7 1.0
CE3 C:TRP441 4.5 28.0 1.0
N C:GLN458 4.6 34.4 1.0
CZ2 C:TRP441 4.7 29.6 1.0
N C:GLN457 4.8 31.0 1.0
CA C:GLN458 4.8 35.8 0.5
CA C:GLN458 4.8 35.7 0.5
OE1 C:GLN458 4.9 44.1 0.5
CA C:TRP456 4.9 27.8 1.0

Chlorine binding site 5 out of 5 in 4lgv

Go back to Chlorine Binding Sites List in 4lgv
Chlorine binding site 5 out of 5 in the X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Crystal Structure of Glucose-6-Phosphate 1-Dehydrogenase From Mycobacterium Avium within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl501

b:56.0
occ:1.00
 N D:HIS335 3.4 24.8 1.0
O D:HOH670 3.6 35.9 1.0
CA D:HIS334 3.9 26.4 1.0
O D:HOH671 3.9 33.4 1.0
CB D:HIS334 4.1 26.9 1.0
CD2 D:HIS335 4.1 27.5 1.0
CB D:HIS335 4.1 25.2 1.0
ND1 D:HIS334 4.1 32.0 1.0
C D:HIS334 4.2 25.4 1.0
CA D:HIS335 4.3 25.0 1.0
CG D:HIS335 4.4 27.7 1.0
CG D:HIS334 4.6 29.6 1.0
O D:HIS335 4.9 22.3 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: Fri Jul 11 18:33:30 2025

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