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Chlorine in PDB 4hiz: Phage PHI92 Endosialidase

Enzymatic activity of Phage PHI92 Endosialidase

All present enzymatic activity of Phage PHI92 Endosialidase:
3.2.1.129;

Protein crystallography data

The structure of Phage PHI92 Endosialidase, PDB code: 4hiz was solved by D.Schwarzer, C.Browning, P.G.Leiman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.97 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 122.858, 137.584, 140.778, 90.00, 94.64, 90.00
R / Rfree (%) 10.7 / 14.7

Other elements in 4hiz:

The structure of Phage PHI92 Endosialidase also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Calcium (Ca) 6 atoms
Sodium (Na) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Phage PHI92 Endosialidase (pdb code 4hiz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Phage PHI92 Endosialidase, PDB code: 4hiz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4hiz

Go back to Chlorine Binding Sites List in 4hiz
Chlorine binding site 1 out of 4 in the Phage PHI92 Endosialidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phage PHI92 Endosialidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl821

b:25.6
occ:1.00
O2 A:EDO809 2.9 29.7 1.0
O A:HOH1625 3.1 61.6 1.0
N A:SER543 3.2 11.7 1.0
NH1 A:ARG501 3.6 16.7 1.0
CA A:ASN542 3.7 14.2 1.0
NH1 A:ARG488 3.8 17.3 1.0
C2 A:EDO809 3.8 32.8 1.0
O A:SER543 3.8 12.7 1.0
C A:ASN542 4.0 12.6 1.0
O A:HOH1644 4.0 53.6 1.0
CE1 A:HIS180 4.0 15.4 1.0
CA A:SER543 4.2 11.9 1.0
CB A:ASN542 4.2 18.1 1.0
CD A:ARG488 4.3 18.2 1.0
CZ A:ARG488 4.4 17.6 1.0
CB A:SER543 4.4 12.0 1.0
ND1 A:HIS180 4.4 15.6 1.0
C A:SER543 4.4 11.8 1.0
O1 A:EDO809 4.4 40.1 1.0
ND2 A:ASN542 4.5 22.4 1.0
O A:VAL541 4.5 12.5 1.0
CZ A:ARG501 4.6 15.7 1.0
NE A:ARG488 4.6 18.9 1.0
NH2 A:ARG501 4.7 15.3 1.0
C1 A:EDO809 4.8 36.9 1.0
N A:ASN542 4.8 13.2 1.0
NE2 A:HIS180 4.9 14.0 1.0
CG A:ASN542 4.9 24.7 1.0
O A:HOH988 5.0 17.0 1.0

Chlorine binding site 2 out of 4 in 4hiz

Go back to Chlorine Binding Sites List in 4hiz
Chlorine binding site 2 out of 4 in the Phage PHI92 Endosialidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Phage PHI92 Endosialidase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl822

b:59.3
occ:1.00
O C:HOH1674 2.2 54.2 1.0
ND2 C:ASN742 3.1 17.1 1.0
O A:TYR730 3.4 19.0 1.0
O A:HOH1486 3.6 48.0 1.0
O C:HOH1694 3.7 60.1 1.0
O B:HOH1254 3.8 33.0 1.0
CE2 B:TYR722 3.9 16.4 1.0
CG C:ASN742 4.1 17.6 1.0
OD1 C:ASN742 4.2 20.2 1.0
CZ B:TYR722 4.5 17.2 1.0
C A:TYR730 4.5 18.1 1.0
OH B:TYR722 4.5 19.6 1.0
CE1 A:TYR730 4.5 30.7 1.0
CD1 A:TYR730 4.5 26.6 1.0
CD2 B:TYR722 4.6 15.5 1.0
O C:HOH1599 4.7 50.3 1.0
NH2 C:ARG712 4.7 35.5 1.0
CA A:TYR730 4.8 17.4 1.0
CZ A:TYR730 4.8 33.5 1.0
CG A:TYR730 4.8 23.3 1.0
O C:HOH2015 5.0 57.6 1.0

Chlorine binding site 3 out of 4 in 4hiz

Go back to Chlorine Binding Sites List in 4hiz
Chlorine binding site 3 out of 4 in the Phage PHI92 Endosialidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Phage PHI92 Endosialidase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl818

b:24.3
occ:1.00
O1 B:EDO805 2.9 29.4 1.0
O B:HOH1615 3.2 50.0 1.0
N B:SER543 3.2 11.9 1.0
NH1 B:ARG501 3.5 15.9 1.0
CA B:ASN542 3.6 14.4 1.0
NH1 B:ARG488 3.7 16.9 1.0
O B:SER543 3.8 13.1 1.0
O B:HOH1732 3.9 56.3 1.0
C B:ASN542 3.9 12.8 1.0
CE1 B:HIS180 4.0 14.9 1.0
C1 B:EDO805 4.0 33.2 1.0
CB B:ASN542 4.2 19.1 1.0
CA B:SER543 4.2 11.3 1.0
CD B:ARG488 4.2 18.7 1.0
ND2 B:ASN542 4.3 24.3 1.0
CB B:SER543 4.4 11.8 1.0
ND1 B:HIS180 4.4 14.4 1.0
O2 B:EDO805 4.4 50.4 1.0
CZ B:ARG488 4.4 16.4 1.0
C B:SER543 4.4 12.0 1.0
O B:VAL541 4.5 14.2 1.0
CZ B:ARG501 4.5 15.5 1.0
NE B:ARG488 4.6 18.4 1.0
NH2 B:ARG501 4.7 15.4 1.0
N B:ASN542 4.8 13.1 1.0
CG B:ASN542 4.8 27.4 1.0
C2 B:EDO805 4.9 42.3 1.0
NE2 B:HIS180 4.9 14.5 1.0
CG B:ARG488 5.0 15.9 1.0

Chlorine binding site 4 out of 4 in 4hiz

Go back to Chlorine Binding Sites List in 4hiz
Chlorine binding site 4 out of 4 in the Phage PHI92 Endosialidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Phage PHI92 Endosialidase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl818

b:25.7
occ:1.00
O2 C:EDO805 2.9 31.7 1.0
O C:HOH1966 3.1 53.5 1.0
N C:SER543 3.2 13.0 1.0
NH1 C:ARG501 3.7 15.5 1.0
CA C:ASN542 3.7 14.5 1.0
NH1 C:ARG488 3.7 19.3 1.0
O C:SER543 3.8 14.2 1.0
O C:HOH1130 3.9 85.2 1.0
C2 C:EDO805 4.0 34.0 1.0
C C:ASN542 4.0 13.2 1.0
CE1 C:HIS180 4.0 16.6 1.0
CA C:SER543 4.2 12.9 1.0
CD C:ARG488 4.2 18.8 1.0
CB C:ASN542 4.2 19.1 1.0
CZ C:ARG488 4.3 18.4 1.0
C C:SER543 4.5 12.9 1.0
ND1 C:HIS180 4.5 16.6 1.0
CB C:SER543 4.5 14.0 1.0
ND2 C:ASN542 4.5 24.6 1.0
O C:VAL541 4.5 12.9 1.0
C1 C:EDO805 4.5 39.9 1.0
NE C:ARG488 4.6 19.1 1.0
CZ C:ARG501 4.6 14.5 1.0
NH2 C:ARG501 4.7 14.7 1.0
O1 C:EDO805 4.8 46.7 1.0
N C:ASN542 4.8 12.9 1.0
NE2 C:HIS180 4.9 14.9 1.0
CG C:ASN542 4.9 26.8 1.0
CG C:ARG488 5.0 16.4 1.0

Reference:

D.Schwarzer, C.Browning, A.Oberbeck, K.Stummeyer, M.Muhlenhoff, R.Gerardy-Schahn, P.G.Leiman. Crystal Structure of Endosialidase From Phage PHI92 That Cleaves ALPHA2,8- and ALPHA2,9-Linked Polysialic Acid To Be Published.
Page generated: Sat Dec 12 10:43:00 2020

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