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Chlorine in PDB 3ju4: Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution

Enzymatic activity of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution

All present enzymatic activity of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution:
3.2.1.129;

Protein crystallography data

The structure of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution, PDB code: 3ju4 was solved by E.C.Schulz, P.Neuman, R.Gerardy-Schahn, G.M.Sheldrick, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 0.98
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 119.040, 119.040, 175.690, 90.00, 90.00, 120.00
R / Rfree (%) 11.6 / 13.3

Other elements in 3ju4:

The structure of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution also contains other interesting chemical elements:

Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution (pdb code 3ju4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution, PDB code: 3ju4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3ju4

Go back to Chlorine Binding Sites List in 3ju4
Chlorine binding site 1 out of 5 in the Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2

b:16.0
occ:1.00
 O A:HOH2254 1.9 8.2 0.5
ND1 A:HIS628 2.9 8.2 1.0
NH2 A:ARG596 3.0 7.3 1.0
NE A:ARG596 3.2 6.4 1.0
O A:HOH1922 3.4 45.5 1.0
CA A:THR598 3.5 6.2 1.0
CA A:HIS628 3.5 4.8 1.0
CZ A:ARG596 3.6 6.1 1.0
O A:THR598 3.6 8.8 1.0
O A:GLY597 3.6 6.2 1.0
CE1 A:HIS628 3.8 8.9 1.0
CG A:HIS628 3.9 5.8 1.0
N A:HIS628 3.9 4.9 1.0
C A:THR598 3.9 7.2 1.0
CB A:THR598 4.0 7.8 1.0
O A:HOH1346 4.1 11.5 1.0
CB A:HIS628 4.2 5.8 1.0
CG2 A:THR598 4.3 10.5 1.0
C A:GLY597 4.5 5.6 1.0
N A:THR598 4.5 5.9 1.0
O A:HOH1509 4.5 41.0 1.0
CD A:ARG596 4.5 5.8 1.0
C A:HIS628 4.5 4.8 1.0
O A:HOH1794 4.6 23.6 0.5
CG A:ARG596 4.7 5.4 1.0
O A:HOH1429 4.8 25.5 0.5
O A:HIS628 4.8 6.4 1.0
NH1 A:ARG596 4.9 7.1 1.0
NE2 A:HIS628 4.9 8.6 1.0
CD2 A:HIS628 5.0 7.5 1.0

Chlorine binding site 2 out of 5 in 3ju4

Go back to Chlorine Binding Sites List in 3ju4
Chlorine binding site 2 out of 5 in the Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl3

b:12.8
occ:1.00
 O A:GLY701 2.7 4.7 1.0
O A:GLY703 2.8 3.7 1.0
N A:TRP328 2.8 3.8 1.0
CB A:ALA327 3.4 4.5 1.0
N A:GLY719 3.4 3.6 1.0
CA A:ALA327 3.4 3.6 1.0
CG2 A:VAL704 3.4 5.8 1.0
CA A:GLY719 3.5 3.6 1.0
C A:ALA327 3.6 3.8 1.0
CD A:PRO329 3.6 4.2 1.0
C A:GLY703 3.7 3.5 1.0
CA A:TRP328 3.8 4.1 1.0
C A:GLY701 3.8 4.1 1.0
O A:VAL704 4.0 4.3 1.0
N A:GLY703 4.3 3.7 1.0
C A:PHE718 4.5 3.4 1.0
C A:VAL702 4.5 3.9 1.0
CA A:GLY701 4.5 4.6 1.0
C A:VAL704 4.5 3.8 1.0
N A:PRO329 4.5 4.0 1.0
N A:VAL704 4.5 3.8 1.0
C A:GLY719 4.6 3.3 1.0
CB A:VAL704 4.6 4.8 1.0
CA A:GLY703 4.6 3.8 1.0
C A:TRP328 4.7 4.0 1.0
CA A:VAL704 4.7 4.3 1.0
O A:ALA327 4.8 4.1 1.0
O A:VAL702 4.8 5.0 1.0
CG A:PRO329 4.8 4.5 1.0
N A:ALA327 4.8 3.6 1.0
N A:VAL702 4.8 4.0 1.0
CG A:TRP328 4.9 5.2 1.0
CD2 A:LEU747 4.9 5.0 1.0
CD1 A:TRP328 4.9 6.4 1.0
CB A:TRP328 5.0 5.0 1.0

Chlorine binding site 3 out of 5 in 3ju4

Go back to Chlorine Binding Sites List in 3ju4
Chlorine binding site 3 out of 5 in the Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl4

b:13.9
occ:1.00
 O A:THR629 2.7 5.3 1.0
OG A:SER605 2.8 5.5 1.0
N A:GLY597 2.9 5.2 1.0
CA A:HIS627 3.1 5.3 1.0
O A:VAL626 3.2 5.7 1.0
N A:HIS627 3.2 5.2 1.0
C A:HIS627 3.4 4.9 1.0
C A:VAL626 3.4 5.2 1.0
N A:THR629 3.5 4.7 1.0
CA A:ARG596 3.6 5.0 1.0
N A:HIS628 3.6 4.9 1.0
CG2 A:THR629 3.6 5.3 1.0
C A:THR629 3.7 4.6 1.0
C A:ARG596 3.7 5.3 1.0
O A:GLY597 3.8 6.2 1.0
CG1 A:VAL626 3.8 6.1 1.0
CA A:GLY597 3.8 5.8 1.0
O A:HIS627 3.9 5.2 1.0
CG A:ARG596 4.0 5.4 1.0
CA A:THR629 4.0 4.4 1.0
CB A:SER605 4.2 5.5 1.0
CB A:ARG596 4.3 5.2 1.0
C A:GLY597 4.3 5.6 1.0
CB A:THR629 4.4 4.8 1.0
O A:THR595 4.5 5.4 1.0
C A:HIS628 4.5 4.8 1.0
CA A:VAL626 4.5 5.5 1.0
CB A:VAL626 4.5 5.8 1.0
CB A:HIS627 4.5 5.5 1.0
CA A:HIS628 4.6 4.8 1.0
N A:SER605 4.7 5.5 1.0
N A:ARG596 4.8 5.2 1.0
CA A:SER605 4.8 5.1 1.0
N A:THR630 4.9 4.5 1.0
O A:ARG596 5.0 6.0 1.0

Chlorine binding site 4 out of 5 in 3ju4

Go back to Chlorine Binding Sites List in 3ju4
Chlorine binding site 4 out of 5 in the Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl5

b:14.5
occ:1.00
 O A:GLY799 2.8 5.9 1.0
C A:GLY799 3.2 5.3 1.0
N A:HIS800 3.6 5.5 1.0
CA A:HIS800 3.7 5.4 1.0
CA A:GLY799 4.1 6.3 1.0
O A:LEU798 4.6 7.3 1.0
C A:HIS800 4.6 5.1 1.0
CB A:HIS800 4.7 5.8 1.0
N A:VAL801 4.7 4.8 1.0

Chlorine binding site 5 out of 5 in 3ju4

Go back to Chlorine Binding Sites List in 3ju4
Chlorine binding site 5 out of 5 in the Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure Analysis of Endosialidasenf at 0.98 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl6

b:16.5
occ:1.00
 ND1 A:HIS542 2.8 6.7 1.0
O A:GLU525 3.0 6.9 1.0
CB A:HIS527 3.2 6.5 1.0
N A:HIS542 3.3 6.3 1.0
CA A:GLU581 3.4 5.0 1.0
C A:TYR541 3.6 6.2 1.0
N A:GLU581 3.6 5.2 1.0
CD A:PRO582 3.6 5.8 1.0
C A:GLU525 3.7 6.5 1.0
CA A:TYR541 3.7 6.2 1.0
CB A:GLU525 3.7 8.3 1.0
CE1 A:HIS542 3.8 7.2 1.0
CG A:HIS542 3.8 6.2 1.0
CG A:GLU581 3.9 6.4 1.0
CB A:HIS542 4.0 6.6 1.0
CG A:HIS527 4.1 5.7 1.0
N A:HIS527 4.1 5.5 1.0
CB A:GLU581 4.2 5.7 1.0
CA A:HIS542 4.2 6.4 1.0
CA A:GLU525 4.3 7.7 1.0
OE1 A:GLU525 4.3 10.4 1.0
CA A:HIS527 4.3 5.2 1.0
O A:TYR541 4.3 6.5 1.0
N A:TYR541 4.4 6.1 1.0
C A:VAL526 4.4 6.3 1.0
C A:GLU581 4.4 4.7 1.0
N A:PRO582 4.4 5.1 1.0
N A:VAL526 4.4 5.9 1.0
CA A:VAL526 4.5 5.9 1.0
ND1 A:HIS527 4.6 5.1 1.0
O A:GLY540 4.7 6.3 1.0
CG A:PRO582 4.7 6.1 1.0
C A:GLY540 4.7 5.7 1.0
N A:GLU525 4.8 7.6 1.0
O A:HIS542 4.8 7.1 1.0
C A:SER580 4.9 5.3 1.0
O A:VAL526 4.9 8.7 1.0
CB A:TYR541 4.9 6.9 1.0
NE2 A:HIS542 4.9 7.9 1.0
CG A:GLU525 5.0 9.4 1.0
CD2 A:HIS542 5.0 7.5 1.0
CD2 A:HIS527 5.0 9.0 1.0

Reference:

E.C.Schulz, P.Neumann, R.Gerardy-Schahn, G.M.Sheldrick, R.Ficner. Structure Analysis of Endosialidase Nf at 0.98 A Resolution. Acta Crystallogr.,Sect.D V. 66 176 2010.
ISSN: ISSN 0907-4449
PubMed: 20124697
DOI: 10.1107/S0907444909048720
Page generated: Sat Jul 20 22:12:03 2024

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