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Chlorine in PDB 4dab: Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine

Enzymatic activity of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine

All present enzymatic activity of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine:
2.4.2.1;

Protein crystallography data

The structure of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine, PDB code: 4dab was solved by N.H.Martins, P.O.Giuseppe, A.N.Meza, M.T.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.23 / 1.85
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 135.394, 135.394, 58.006, 90.00, 90.00, 120.00
R / Rfree (%) 20.1 / 24.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine (pdb code 4dab). 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 the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine, PDB code: 4dab:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 4dab

Go back to Chlorine Binding Sites List in 4dab
Chlorine binding site 1 out of 3 in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine


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 the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:28.9
occ:1.00
 O A:HOH405 3.1 25.2 1.0
OG A:SER164 3.2 27.5 1.0
O A:HOH422 3.3 29.5 1.0
ND2 A:ASN161 3.4 28.0 1.0
O A:HOH448 3.4 21.3 1.0
CE2 A:PHE154 3.7 18.6 1.0
CB A:SER164 3.8 27.3 1.0
CB A:ASN161 3.8 25.7 1.0
CA A:SER164 4.1 26.9 1.0
O A:GLN158 4.1 22.2 1.0
CG A:ASN161 4.1 27.8 1.0
CB A:ALA156 4.1 19.9 1.0
CG2 A:ILE166 4.3 27.6 1.0
CD2 A:PHE154 4.4 18.3 1.0
O A:HOH449 4.6 22.8 1.0
CZ A:PHE154 4.7 19.2 1.0
OD1 A:ASP112 4.8 21.6 1.0
CG2 A:VAL177 4.9 19.8 1.0
N A:GLN165 4.9 24.1 1.0
O A:HOH444 5.0 34.3 1.0

Chlorine binding site 2 out of 3 in 4dab

Go back to Chlorine Binding Sites List in 4dab
Chlorine binding site 2 out of 3 in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine


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 the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:29.9
occ:0.50
 O A:HOH452 3.1 38.9 1.0
N A:LYS56 3.3 30.1 1.0
CG A:LYS55 3.8 36.2 1.0
CA A:LYS55 3.9 33.0 1.0
CB A:LYS56 3.9 30.3 1.0
CG A:LYS56 3.9 32.0 1.0
C A:LYS55 4.1 31.4 1.0
CA A:LYS56 4.2 30.2 1.0
CB A:LYS55 4.4 33.5 1.0
O A:GLY54 4.5 34.9 1.0
O A:HOH453 4.7 29.8 1.0
O A:LYS56 4.7 28.6 1.0

Chlorine binding site 3 out of 3 in 4dab

Go back to Chlorine Binding Sites List in 4dab
Chlorine binding site 3 out of 3 in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine


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 the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with Hypoxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:41.3
occ:1.00
 NH2 A:ARG87 3.2 24.0 1.0
NH1 A:ARG87 3.4 22.2 1.0
N A:SER90 3.5 26.6 1.0
CA A:GLY89 3.6 24.4 1.0
O A:HOH441 3.6 26.1 1.0
CZ A:ARG87 3.8 24.2 1.0
N A:GLY20 3.9 24.0 1.0
O2 A:GOL308 3.9 36.7 0.8
C3 A:GOL308 4.0 41.1 0.8
C A:GLY89 4.1 25.5 1.0
CA A:GLY20 4.1 24.9 1.0
O1 A:GOL308 4.2 41.3 0.8
O A:SER90 4.4 25.3 1.0
OG A:SER90 4.5 29.2 1.0
C2 A:GOL308 4.5 37.4 0.8
OE2 A:GLU180 4.6 29.9 1.0
OXT A:ACT306 4.7 48.9 1.0
CA A:SER90 4.7 26.6 1.0
O A:HOH442 4.8 30.2 1.0
O A:VAL88 4.9 24.4 1.0
C1 A:GOL308 4.9 39.3 0.8
N A:GLY89 4.9 23.5 1.0
O A:HOH447 4.9 31.4 1.0

Reference:

P.O.De Giuseppe, N.H.Martins, A.N.Meza, C.R.Dos Santos, H.D.Pereira, M.T.Murakami. Insights Into Phosphate Cooperativity and Influence of Substrate Modifications on Binding and Catalysis of Hexameric Purine Nucleoside Phosphorylases. Plos One V. 7 44282 2012.
ISSN: ESSN 1932-6203
PubMed: 22957058
DOI: 10.1371/JOURNAL.PONE.0044282
Page generated: Sat Dec 12 10:31:37 2020

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