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Zinc in PDB 7akq: Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking.

Enzymatic activity of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking.

All present enzymatic activity of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking.:
3.2.1.14;

Protein crystallography data

The structure of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking., PDB code: 7akq was solved by E.Jimenez-Ortega, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.21 / 2.32
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.111, 68.111, 176.639, 90, 90, 90
R / Rfree (%) 19.5 / 24.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking. (pdb code 7akq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking., PDB code: 7akq:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in 7akq

Go back to Zinc Binding Sites List in 7akq
Zinc binding site 1 out of 5 in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn502

b:34.5
occ:1.00
 OD1 A:ASP51 2.2 20.9 1.0
OD2 A:ASP51 2.7 20.9 1.0
CG A:ASP51 2.7 19.9 1.0
O A:HOH628 3.1 28.9 1.0
O3 C:NAG4 3.9 26.7 1.0
CB A:ASP51 4.2 19.5 1.0
O A:HOH755 4.4 26.6 1.0
C3 C:NAG4 4.8 26.2 1.0
CA A:ASP51 4.8 18.9 1.0
N A:ASP51 5.0 19.0 1.0

Zinc binding site 2 out of 5 in 7akq

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Zinc binding site 2 out of 5 in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn503

b:61.5
occ:0.90
 OD1 A:ASP232 1.9 18.5 1.0
NE2 A:HIS205 2.2 23.3 1.0
CG A:ASP232 2.9 17.6 1.0
CE1 A:HIS205 2.9 24.0 1.0
CD2 A:HIS205 3.2 22.6 1.0
OD2 A:ASP232 3.3 17.9 1.0
O A:HOH636 3.4 13.4 1.0
ND1 A:HIS205 4.0 23.1 1.0
CB A:ASP232 4.1 17.4 1.0
CG A:HIS205 4.2 21.5 1.0
NH1 A:ARG190 4.4 20.2 1.0
CA A:ASP232 4.5 17.2 1.0
N A:ASP232 4.7 16.6 1.0
O A:HOH718 5.0 17.9 1.0

Zinc binding site 3 out of 5 in 7akq

Go back to Zinc Binding Sites List in 7akq
Zinc binding site 3 out of 5 in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn504

b:70.3
occ:0.90
 ND1 A:HIS205 2.2 23.1 1.0
O A:HOH726 2.6 40.9 1.0
CE1 A:HIS205 2.8 24.0 1.0
O A:HOH772 2.8 41.1 1.0
CG A:HIS205 3.3 21.5 1.0
NE2 A:HIS205 3.9 23.3 1.0
CB A:HIS205 3.9 20.5 1.0
CD2 A:HIS205 4.2 22.6 1.0
OD1 A:ASP194 4.5 25.1 1.0
CA A:HIS205 4.5 19.6 1.0

Zinc binding site 4 out of 5 in 7akq

Go back to Zinc Binding Sites List in 7akq
Zinc binding site 4 out of 5 in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn505

b:52.0
occ:1.00
 O A:HOH737 2.2 31.8 1.0
NE2 A:HIS395 2.2 31.6 1.0
O A:HOH729 2.8 24.1 1.0
CE1 A:HIS395 3.1 31.5 1.0
CD2 A:HIS395 3.3 30.2 1.0
O A:GLY399 3.8 32.9 1.0
ND1 A:HIS395 4.3 29.8 1.0
CG A:HIS395 4.4 29.0 1.0
CG A:LEU401 4.7 29.2 1.0
CD1 A:LEU401 4.9 29.9 1.0

Zinc binding site 5 out of 5 in 7akq

Go back to Zinc Binding Sites List in 7akq
Zinc binding site 5 out of 5 in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitintetraose Obtained By Soaking. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn506

b:35.2
occ:0.50
 O A:HOH768 2.1 30.0 1.0
NE2 A:HIS92 2.4 20.4 1.0
CD2 A:HIS92 3.0 19.7 1.0
O A:HOH778 3.1 25.3 1.0
CH2 A:TRP98 3.3 34.0 0.5
CZ3 A:TRP98 3.4 34.4 0.5
CE1 A:HIS92 3.4 20.6 1.0
CZ2 A:TRP98 3.5 34.0 0.5
CE3 A:TRP98 3.6 34.2 0.5
O A:HOH792 3.6 30.0 1.0
CE2 A:TRP98 3.7 33.7 0.5
CD2 A:TRP98 3.7 34.2 0.5
CG A:HIS92 4.1 19.1 1.0
O A:GLU90 4.1 17.6 1.0
O A:HOH764 4.2 28.2 1.0
ND1 A:HIS92 4.2 20.2 1.0
NE1 A:TRP98 4.6 33.7 0.5
CG A:TRP98 4.6 34.8 0.5

Reference:

E.Jimenez-Ortega, P.E.Kidibule, M.Fernandez-Lobato, J.Sanz-Aparicio. Structural Inspection and Protein Motions Modelling of A Fungal Glycoside Hydrolase Family 18 Chitinase By Crystallography Depicts A Dynamic Enzymatic Mechanism Comput Struct Biotechnol J V. 19 5466 2021.
ISSN: ESSN 2001-0370
DOI: 10.1016/J.CSBJ.2021.09.027
Page generated: Tue Oct 29 16:51:47 2024

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