Atomistry » Chlorine » PDB 3jpy-3k1n » 3ju4
Atomistry »
  Chlorine »
    PDB 3jpy-3k1n »
      3ju4 »

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 Dec 12 09:49:37 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy