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Chlorine in PDB 4n9m: Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine

Enzymatic activity of Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine

All present enzymatic activity of Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine:
1.7.3.3;

Protein crystallography data

The structure of Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine, PDB code: 4n9m was solved by E.Oksanen, M.P.Blakeley, M.Budayova-Spano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.30
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.180, 96.260, 105.510, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 18.9

Other elements in 4n9m:

The structure of Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine (pdb code 4n9m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine, PDB code: 4n9m:

Chlorine binding site 1 out of 1 in 4n9m

Go back to Chlorine Binding Sites List in 4n9m
Chlorine binding site 1 out of 1 in the Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Joint Neutron/X-Ray Structure of Urate Oxidase in Complex with 8- Hydroxyxanthine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:35.6
occ:1.00
 DD21 A:ASN254 2.4 20.8 1.0
HA3 A:GLY286 2.6 13.0 1.0
HB3 A:ASN254 2.9 12.3 1.0
HE1 A:HIS256 3.0 20.4 1.0
ND2 A:ASN254 3.1 20.2 1.0
C4 A:8HX401 3.3 20.5 1.0
C5 A:8HX401 3.3 19.4 1.0
HB2 A:ASN254 3.4 10.4 1.0
CB A:ASN254 3.5 11.9 1.0
HD11 A:ILE288 3.5 12.4 1.0
CA A:GLY286 3.5 10.9 1.0
N9 A:8HX401 3.6 27.3 1.0
N7 A:8HX401 3.6 17.1 1.0
C8 A:8HX401 3.7 19.6 1.0
HA2 A:GLY286 3.7 10.1 1.0
N3 A:8HX401 3.7 14.3 1.0
DD22 A:ASN254 3.7 17.1 1.0
CG A:ASN254 3.8 22.6 1.0
C6 A:8HX401 3.8 23.7 1.0
CE1 A:HIS256 3.8 22.5 1.0
D A:GLY286 3.9 13.4 1.0
DAB A:8HX401 4.0 22.8 1.0
C2 A:8HX401 4.2 9.1 1.0
N1 A:8HX401 4.2 18.6 1.0
N A:GLY286 4.2 10.1 1.0
HD12 A:ILE288 4.3 16.3 1.0
CD1 A:ILE288 4.3 21.1 1.0
NE2 A:HIS256 4.4 15.4 1.0
DAA A:8HX401 4.4 25.9 1.0
O6 A:8HX401 4.4 21.9 1.0
C A:GLY286 4.5 10.3 1.0
O8 A:8HX401 4.5 43.5 1.0
O A:DOD687 4.7 66.0 1.0
D A:LEU287 4.8 10.8 1.0
HG21 A:VAL227 4.8 14.6 1.0
HG12 A:ILE288 4.8 13.1 1.0
HG13 A:ILE288 4.9 18.1 1.0
DAC A:8HX401 4.9 19.0 1.0
CA A:ASN254 4.9 7.4 1.0
D A:ASN254 4.9 10.8 0.5
N A:LEU287 5.0 5.6 1.0
OD1 A:ASN254 5.0 18.5 1.0
ND1 A:HIS256 5.0 17.6 1.0
CG1 A:ILE288 5.0 14.4 1.0

Reference:

E.Oksanen, M.P.Blakeley, M.El-Hajji, U.Ryde, M.Budayova-Spano. The Neutron Structure of Urate Oxidase Resolves A Long-Standing Mechanistic Conundrum and Reveals Unexpected Changes in Protonation. Plos One V. 9 86651 2014.
ISSN: ESSN 1932-6203
PubMed: 24466188
DOI: 10.1371/JOURNAL.PONE.0086651
Page generated: Sat Dec 12 10:58:09 2020

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