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Chlorine in PDB 4toq: Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity

Enzymatic activity of Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity

All present enzymatic activity of Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity:
3.2.1.14;

Protein crystallography data

The structure of Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity, PDB code: 4toq was solved by T.Masuda, G.Zhao, B.Mikami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.60 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.462, 79.969, 97.532, 90.00, 102.97, 90.00
R / Rfree (%) 15.5 / 19.2

Other elements in 4toq:

The structure of Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity also contains other interesting chemical elements:

Magnesium (Mg) 13 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity (pdb code 4toq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity, PDB code: 4toq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4toq

Go back to Chlorine Binding Sites List in 4toq
Chlorine binding site 1 out of 6 in the Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity


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 Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:21.4
occ:1.00
 N A:ALA41 3.3 9.8 1.0
CA A:ARG40 3.7 6.8 1.0
CB A:ARG40 3.9 10.2 1.0
NE A:ARG40 4.0 35.8 1.0
C A:ARG40 4.0 8.9 1.0
CB A:ALA41 4.0 9.5 1.0
O A:HOH553 4.2 26.8 1.0
CA A:ALA41 4.3 10.7 1.0
CG A:ARG40 4.4 16.4 1.0
NH2 A:ARG40 4.5 32.2 1.0
CZ A:ARG40 4.7 37.5 1.0
CD A:ARG40 4.8 36.5 1.0
O A:PHE39 5.0 11.9 1.0

Chlorine binding site 2 out of 6 in 4toq

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Chlorine binding site 2 out of 6 in the Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity


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 Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:17.7
occ:1.00
 O A:HOH436 2.8 23.2 1.0
N A:LEU187 3.1 7.2 1.0
C A:ASN185 3.4 7.0 1.0
N A:PRO186 3.5 8.0 1.0
CA A:ASN185 3.5 9.7 1.0
CD A:PRO186 3.6 9.0 1.0
N A:ALA188 3.7 9.7 1.0
CB A:LEU187 3.7 9.4 1.0
CA A:LEU187 3.7 9.9 1.0
O A:ASN185 3.8 8.8 1.0
C A:LEU187 3.9 14.1 1.0
CB A:ALA188 4.0 10.3 1.0
CB A:ASN185 4.1 7.7 1.0
C A:PRO186 4.2 9.6 1.0
CG A:LEU187 4.3 12.7 1.0
CA A:PRO186 4.4 8.7 1.0
CG A:PRO186 4.4 8.3 1.0
CA A:ALA188 4.4 7.8 1.0
OD1 A:ASN185 4.5 14.2 1.0
CG A:ASN185 4.7 12.9 1.0
N A:ASN185 4.8 6.2 1.0
O A:ASN184 4.8 11.5 1.0
O A:LEU187 4.8 14.4 1.0
CD1 A:LEU187 4.9 12.7 1.0

Chlorine binding site 3 out of 6 in 4toq

Go back to Chlorine Binding Sites List in 4toq
Chlorine binding site 3 out of 6 in the Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity


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 Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl303

b:28.8
occ:1.00
 ND1 B:HIS49 3.0 12.0 1.0
O B:HOH441 3.2 25.0 1.0
O B:HOH419 3.4 24.0 1.0
CE1 B:HIS49 3.8 12.3 1.0
CG2 B:THR15 3.8 11.1 1.0
O B:HOH609 3.9 20.0 1.0
CA B:THR15 3.9 12.4 1.0
CG B:HIS49 4.0 11.4 1.0
O B:GLY14 4.1 10.7 1.0
N B:THR15 4.2 11.8 1.0
C B:GLY14 4.2 15.9 1.0
CB B:HIS49 4.3 13.5 1.0
CB B:THR15 4.3 14.6 1.0
CA B:HIS49 4.5 14.2 1.0
O B:HOH411 4.6 20.5 1.0
CZ2 B:TRP7 4.7 10.8 1.0
O B:HIS49 4.7 13.6 1.0
O B:GLY11 4.9 13.2 1.0
NE2 B:HIS49 5.0 9.9 1.0

Chlorine binding site 4 out of 6 in 4toq

Go back to Chlorine Binding Sites List in 4toq
Chlorine binding site 4 out of 6 in the Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:18.4
occ:1.00
 N B:GLY11 3.1 11.4 1.0
N B:GLY48 3.4 11.9 1.0
CB B:ALA47 3.6 13.2 1.0
CA B:GLY48 3.9 9.4 1.0
CA B:ASN10 3.9 8.9 1.0
CA B:GLY11 4.0 13.3 1.0
C B:ASN10 4.0 9.8 1.0
C B:ALA47 4.3 16.9 1.0
OD1 B:ASN10 4.3 15.7 1.0
CA B:ALA47 4.5 8.3 1.0
O B:GLN9 4.5 10.8 1.0
CG B:ASN10 4.5 14.4 1.0
N B:ASN10 4.8 8.7 1.0
CB B:ASN10 4.8 9.8 1.0
C B:GLY48 5.0 14.8 1.0
C B:GLN9 5.0 10.7 1.0

Chlorine binding site 5 out of 6 in 4toq

Go back to Chlorine Binding Sites List in 4toq
Chlorine binding site 5 out of 6 in the Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:23.1
occ:1.00
 O B:HOH444 3.1 25.4 1.0
N B:LEU187 3.1 13.1 1.0
C B:ASN185 3.4 9.8 1.0
N B:PRO186 3.4 11.5 1.0
CD B:PRO186 3.5 15.7 1.0
CA B:ASN185 3.5 10.0 1.0
CB B:LEU187 3.7 16.4 1.0
CA B:LEU187 3.7 13.9 1.0
N B:ALA188 3.8 14.5 1.0
O B:ASN185 3.9 10.0 1.0
C B:LEU187 4.0 16.5 1.0
C B:PRO186 4.2 11.6 1.0
CG B:PRO186 4.2 12.2 1.0
CB B:ASN185 4.2 9.6 1.0
CB B:ALA188 4.3 15.3 1.0
CA B:PRO186 4.3 13.7 1.0
CG B:LEU187 4.4 19.4 1.0
OD1 B:ASN185 4.6 12.3 1.0
CA B:ALA188 4.6 13.4 1.0
O B:ASN184 4.7 12.3 1.0
N B:ASN185 4.8 7.7 1.0
CG B:ASN185 4.8 10.6 1.0
O B:LEU187 4.9 18.2 1.0
CD1 B:LEU187 4.9 24.6 1.0
CB B:PRO186 4.9 15.1 1.0

Chlorine binding site 6 out of 6 in 4toq

Go back to Chlorine Binding Sites List in 4toq
Chlorine binding site 6 out of 6 in the Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl305

b:19.0
occ:1.00
 O D:HOH613 3.1 22.1 1.0
O C:HOH548 3.1 14.6 1.0
NH1 C:ARG144 3.1 23.0 1.0
O C:HOH623 3.2 25.9 1.0
ND2 D:ASN102 3.3 14.8 1.0
CZ2 C:TRP101 3.8 15.1 1.0
CD C:ARG144 3.9 18.4 1.0
CG C:ARG144 3.9 18.3 1.0
CB D:ASP98 4.1 10.6 1.0
CE2 C:TRP101 4.2 12.9 1.0
CB C:ARG144 4.2 19.1 1.0
CG D:ASN102 4.2 14.5 1.0
CG D:ASP98 4.2 17.6 1.0
CZ C:ARG144 4.2 27.8 1.0
OD2 D:ASP98 4.3 17.7 1.0
OD1 D:ASN102 4.3 14.0 1.0
CH2 C:TRP101 4.4 13.0 1.0
NE1 C:TRP101 4.4 14.2 1.0
NE C:ARG144 4.5 21.0 1.0
CA C:ARG144 4.5 12.4 1.0
O C:HOH600 4.8 20.0 1.0
OD1 D:ASP98 4.8 20.0 1.0
O D:HOH556 4.9 18.4 1.0
O C:ARG144 4.9 13.1 1.0

Reference:

T.Masuda, G.Zhao, B.Mikami. Crystal Structure of Class III Chitinase From Pomegranate Provides the Insight Into Its Metal Storage Capacity. Biosci.Biotechnol.Biochem. 1 2014.
ISSN: ISSN 0916-8451
PubMed: 25252615
DOI: 10.1080/09168451.2014.962475
Page generated: Fri Jul 26 01:49:56 2024

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