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Chlorine in PDB 4eiv: 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49

Enzymatic activity of 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49

All present enzymatic activity of 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49:
4.1.2.4;

Protein crystallography data

The structure of 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49, PDB code: 4eiv was solved by A.S.Halavaty, J.Ruan, G.Minasov, L.Shuvalova, A.Ueno, M.Igarashi, H.Ngo, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.42 / 1.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.982, 73.284, 96.378, 90.00, 90.00, 90.00
R / Rfree (%) 15.2 / 18.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49 (pdb code 4eiv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49, PDB code: 4eiv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4eiv

Go back to Chlorine Binding Sites List in 4eiv
Chlorine binding site 1 out of 4 in the 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:50.2
occ:1.00
 N A:ARG253 3.2 30.2 1.0
ND2 A:ASN17 3.2 29.1 1.0
O A:HOH487 3.3 42.5 1.0
O B:HOH634 3.3 52.7 1.0
O A:HOH465 3.4 37.3 1.0
O B:HOH576 3.4 98.5 1.0
CB A:ARG253 3.6 29.9 1.0
CA A:VAL252 4.0 29.9 1.0
CA A:ARG253 4.0 29.9 1.0
C A:VAL252 4.1 29.4 1.0
CG A:ASN17 4.2 27.4 1.0
CB A:VAL252 4.2 31.4 1.0
OD1 A:ASN17 4.2 29.3 1.0
CE1 A:PHE18 4.3 28.3 0.5
CG B:ARG249 4.5 38.3 1.0
CB B:PRO248 4.6 29.4 1.0
O B:PRO248 4.6 28.4 1.0
O B:HOH684 4.7 74.6 1.0
C B:PRO248 4.7 28.9 1.0
CG1 A:VAL252 4.7 32.9 1.0
CZ A:PHE18 4.8 28.9 0.5
N B:ARG249 4.8 29.3 1.0
CA B:ARG249 4.8 30.9 1.0
O A:HOH546 4.9 49.9 1.0
CE1 A:PHE18 5.0 22.1 0.5
CG A:ARG253 5.0 31.3 1.0

Chlorine binding site 2 out of 4 in 4eiv

Go back to Chlorine Binding Sites List in 4eiv
Chlorine binding site 2 out of 4 in the 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:45.2
occ:1.00
 OG1 A:THR0 3.2 35.4 1.0
OG1 B:THR0 3.2 34.6 1.0
CB A:TYR7 3.8 27.8 1.0
CB B:TYR7 3.9 27.1 1.0
CG2 A:THR0 4.0 37.6 1.0
CB A:THR0 4.1 35.6 1.0
CE B:LYS8 4.1 36.7 1.0
CG A:LYS8 4.1 30.2 1.0
CD2 A:TYR7 4.1 27.8 1.0
CG2 B:THR0 4.1 38.4 1.0
CG B:LYS8 4.1 30.8 1.0
CE A:LYS8 4.1 37.1 1.0
CB B:THR0 4.1 35.1 1.0
CD2 B:TYR7 4.2 28.3 1.0
CG A:TYR7 4.4 26.5 1.0
CG B:TYR7 4.5 26.6 1.0
CD A:LYS8 4.5 34.6 1.0
CD B:LYS8 4.6 34.5 1.0
N A:LYS8 4.6 27.0 1.0
N B:LYS8 4.7 26.8 1.0
CA A:TYR7 4.9 26.6 1.0
CA B:TYR7 5.0 26.9 1.0

Chlorine binding site 3 out of 4 in 4eiv

Go back to Chlorine Binding Sites List in 4eiv
Chlorine binding site 3 out of 4 in the 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:75.6
occ:1.00
 O B:HOH435 2.7 31.2 1.0
O A:HOH613 2.7 42.8 1.0
O B:HOH676 2.9 55.6 1.0
NH2 B:ARG13 3.1 28.1 1.0
NE B:ARG13 3.5 25.8 1.0
CZ B:ARG13 3.7 26.5 1.0
O B:HOH621 3.9 45.9 1.0
O B:HOH574 4.1 44.8 0.5
O A:ILE243 4.2 29.7 1.0
O B:HOH566 4.2 54.4 1.0
OH B:TYR272 4.2 33.0 1.0
CB B:PRO44 4.2 30.4 1.0
CG2 A:ILE243 4.3 29.5 1.0
O A:HOH655 4.4 84.0 1.0
CA A:PHE244 4.4 31.5 1.0
O B:HOH574 4.6 58.1 0.5
CD1 A:PHE244 4.6 35.5 1.0
CG B:PRO44 4.6 31.6 1.0
C A:ILE243 4.7 29.6 1.0
CD B:ARG13 4.8 25.8 1.0
N A:PHE244 4.8 29.2 1.0
O A:PHE244 4.9 33.8 1.0

Chlorine binding site 4 out of 4 in 4eiv

Go back to Chlorine Binding Sites List in 4eiv
Chlorine binding site 4 out of 4 in the 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.37 Angstrom Resolution Crystal Structure of Apo-Form of A Putative Deoxyribose-Phosphate Aldolase From Toxoplasma Gondii ME49 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:52.1
occ:1.00
 O B:HOH652 2.8 0.5 1.0
O A:HOH571 3.0 47.3 1.0
N B:ARG249 3.1 29.3 1.0
N B:PRO248 3.4 27.9 1.0
CB B:ARG249 3.5 32.9 1.0
CD B:PRO248 3.5 29.4 1.0
CA B:GLY247 3.6 27.8 1.0
CZ B:ARG249 3.6 54.9 1.0
C B:GLY247 3.6 27.1 1.0
CG B:ARG249 3.6 38.3 1.0
NE B:ARG249 3.7 50.7 1.0
NH1 B:ARG249 3.8 57.0 1.0
CA B:ARG249 3.9 30.9 1.0
NH2 B:ARG249 4.0 56.9 1.0
C B:PRO248 4.1 28.9 1.0
O A:HOH465 4.2 37.3 1.0
CA B:PRO248 4.2 28.0 1.0
CD B:ARG249 4.3 44.6 1.0
O B:GLY247 4.4 26.7 1.0
O B:ASN246 4.4 29.0 1.0
CB B:PRO248 4.5 29.4 1.0
CG B:PRO248 4.5 30.5 1.0
N B:GLY247 4.8 27.6 1.0
C B:ARG249 4.8 30.1 1.0
O A:HOH451 4.9 33.9 1.0
N B:SER250 4.9 27.7 1.0

Reference:

M.L.Tonkin, A.S.Halavaty, R.Ramaswamy, J.Ruan, M.Igarashi, H.M.Ngo, M.J.Boulanger. Structural and Functional Divergence of the Aldolase Fold in Toxoplasma Gondii. J.Mol.Biol. V. 427 840 2015.
ISSN: ISSN 0022-2836
PubMed: 25284756
DOI: 10.1016/J.JMB.2014.09.019
Page generated: Sat Dec 12 10:34:42 2020

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