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Zinc in PDB 6ylj: Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitinhexaose.

Enzymatic activity of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitinhexaose.

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

Protein crystallography data

The structure of Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitinhexaose., PDB code: 6ylj 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) 48.24 / 1.75
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.16, 68.16, 178.864, 90, 90, 90
R / Rfree (%) 16.4 / 19.6

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 Chitinhexaose. (pdb code 6ylj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitinhexaose., PDB code: 6ylj:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 6ylj

Go back to Zinc Binding Sites List in 6ylj
Zinc binding site 1 out of 3 in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitinhexaose.


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 Chitinhexaose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn510

b:22.6
occ:0.80
 O A:HOH904 2.2 29.7 1.0
OD1 A:ASP51 2.4 20.4 1.0
OD2 A:ASP51 2.5 20.5 1.0
CG A:ASP51 2.8 19.5 1.0
CB A:ASP51 4.3 17.9 1.0
O3 B:NAG6 4.3 33.6 1.0
O A:HOH900 4.6 16.9 1.0
O A:HOH728 4.7 31.5 1.0
CA A:ASP51 5.0 16.6 1.0

Zinc binding site 2 out of 3 in 6ylj

Go back to Zinc Binding Sites List in 6ylj
Zinc binding site 2 out of 3 in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitinhexaose.


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 Chitinhexaose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn511

b:34.3
occ:0.80
 NE2 A:HIS395 2.1 28.6 1.0
O A:HOH936 2.2 33.6 1.0
O A:HOH604 2.2 31.7 1.0
OXT A:ACT503 2.4 42.9 1.0
O A:HOH932 2.5 38.1 1.0
CE1 A:HIS395 3.0 27.6 1.0
O A:ACT503 3.1 35.2 1.0
C A:ACT503 3.1 41.8 1.0
CD2 A:HIS395 3.1 27.6 1.0
O A:HOH805 3.9 36.3 1.0
ND1 A:HIS395 4.1 27.7 1.0
CG A:HIS395 4.2 25.6 1.0
O A:GLY399 4.4 39.7 1.0
CD1 A:LEU401 4.4 28.2 1.0
CG A:LEU401 4.5 26.7 1.0
CH3 A:ACT503 4.6 41.1 1.0
O A:HOH620 4.8 40.1 1.0

Zinc binding site 3 out of 3 in 6ylj

Go back to Zinc Binding Sites List in 6ylj
Zinc binding site 3 out of 3 in the Structure of D169A/E171A Double Mutant of Chitinase CHIT42 From Trichoderma Harzianum Complexed with Chitinhexaose.


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 Chitinhexaose. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn512

b:36.2
occ:0.70
 O A:HOH953 2.1 37.1 1.0
NE2 A:HIS205 2.1 20.7 1.0
OD1 A:ASP232 2.1 19.9 1.0
CE1 A:HIS205 2.7 20.0 1.0
O A:HOH734 2.8 35.1 1.0
CG A:ASP232 3.1 15.1 1.0
CD2 A:HIS205 3.3 19.7 1.0
OD2 A:ASP232 3.4 15.7 1.0
O A:HOH615 3.6 20.5 1.0
ND1 A:HIS205 3.8 20.1 1.0
CG A:HIS205 4.1 18.2 1.0
NH1 A:ARG190 4.3 15.4 1.0
CB A:ASP232 4.4 13.9 1.0
CA A:ASP232 4.7 13.2 1.0
O A:HOH887 4.8 37.0 1.0
O A:HOH612 4.8 36.3 1.0
O A:HOH934 4.8 35.5 1.0
N A:ASP232 4.9 13.2 1.0
CZ A:ARG190 5.0 15.7 1.0
O A:HOH951 5.0 35.3 1.0

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 15:11:28 2024

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