Magnesium in PDB 8frb: Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25

Enzymatic activity of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25

All present enzymatic activity of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25:
3.2.1.14;

Protein crystallography data

The structure of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25, PDB code: 8frb was solved by R.E.Diaz, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.29 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.926, 106.963, 146.492, 90, 90, 90
R / Rfree (%) 14.2 / 17.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 (pdb code 8frb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25, PDB code: 8frb:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 8frb

Go back to Magnesium Binding Sites List in 8frb
Magnesium binding site 1 out of 5 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:18.4
occ:0.58
 O C:HOH710 1.9 28.4 1.0
O C:HOH547 1.9 30.5 1.0
O A:HOH655 2.2 41.0 1.0
O A:SER277 2.2 27.8 1.0
O A:HOH511 2.3 29.1 1.0
HD21 C:ASN275 3.4 72.0 1.0
C A:SER277 3.5 20.3 1.0
HD22 C:ASN275 3.6 72.0 1.0
HA A:ASP278 3.6 19.9 1.0
ND2 C:ASN275 3.8 60.0 1.0
HB2 A:SER277 3.9 27.3 1.0
H A:ASN279 4.0 22.6 1.0
O C:HOH861 4.1 41.8 1.0
OD1 C:ASP278 4.1 32.3 1.0
OD2 C:ASP278 4.3 35.9 1.0
N A:ASP278 4.3 19.4 1.0
HA A:SER277 4.3 31.9 1.0
OD1 A:ASN279 4.3 20.7 1.0
CA A:ASP278 4.4 16.6 1.0
CA A:SER277 4.4 26.6 1.0
HD22 A:ASN279 4.5 31.2 1.0
CB A:SER277 4.6 22.7 1.0
CG C:ASP278 4.6 38.4 1.0
N A:ASN279 4.7 18.8 1.0
O A:HOH818 4.7 27.5 1.0
CG A:ASN279 4.8 24.9 1.0
ND2 A:ASN279 4.8 26.0 1.0

Magnesium binding site 2 out of 5 in 8frb

Go back to Magnesium Binding Sites List in 8frb
Magnesium binding site 2 out of 5 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:17.6
occ:0.61
 O B:HOH826 1.9 33.0 1.0
O B:HOH526 2.0 26.4 1.0
HD3 B:PRO284 3.9 18.5 1.0
OD2 B:ASP278 4.0 22.6 1.0
O B:HOH583 4.3 24.0 1.0
OD1 B:ASP278 4.5 18.6 1.0
HA B:ALA283 4.5 13.5 1.0
CG B:ASP278 4.7 15.1 1.0
CD B:PRO284 4.7 15.5 1.0
HD2 B:PRO284 4.9 18.5 1.0
O B:GLY282 4.9 15.6 1.0
HG3 B:PRO284 4.9 29.3 1.0

Magnesium binding site 3 out of 5 in 8frb

Go back to Magnesium Binding Sites List in 8frb
Magnesium binding site 3 out of 5 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg401

b:20.6
occ:0.68
 O A:HOH592 2.0 29.3 1.0
O A:HOH792 2.0 27.8 1.0
O C:SER277 2.2 23.5 1.0
O C:HOH541 2.3 34.0 1.0
O C:HOH786 2.3 31.3 1.0
HD21 A:ASN275 3.2 72.6 1.0
HA C:ASP278 3.4 24.7 1.0
C C:SER277 3.4 20.3 1.0
HG A:SER277 3.8 39.7 1.0
HD22 A:ASN275 3.9 72.6 1.0
ND2 A:ASN275 3.9 60.5 1.0
H C:ASN279 3.9 21.8 1.0
HB3 C:SER277 4.0 38.5 1.0
CA C:ASP278 4.2 20.6 1.0
N C:ASP278 4.2 23.7 1.0
O C:HOH809 4.3 41.1 1.0
OD1 C:ASP278 4.3 32.3 1.0
OG A:SER277 4.3 33.1 1.0
OD1 C:ASN279 4.3 19.7 1.0
HD22 C:ASN279 4.4 22.0 1.0
O C:HOH694 4.4 47.4 1.0
HA C:SER277 4.4 35.7 1.0
CA C:SER277 4.4 29.8 1.0
N C:ASN279 4.6 18.1 1.0
CB C:SER277 4.7 32.1 1.0
O C:HOH834 4.7 28.4 1.0
ND2 C:ASN279 4.7 18.3 1.0
CG C:ASN279 4.7 22.0 1.0
C C:ASP278 5.0 26.7 1.0

Magnesium binding site 4 out of 5 in 8frb

Go back to Magnesium Binding Sites List in 8frb
Magnesium binding site 4 out of 5 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg401

b:21.6
occ:0.72
 O B:HOH881 2.0 24.1 1.0
O B:HOH796 2.1 29.8 1.0
O D:HOH635 2.1 23.7 1.0
O B:HOH934 2.1 29.8 1.0
O D:HOH741 2.1 33.6 1.0
O D:HOH605 2.2 23.5 1.0
O B:HOH733 3.7 35.3 1.0
HD22 D:ASN85 3.8 32.4 1.0
O D:HOH808 4.1 23.8 1.0
O B:HOH800 4.1 28.4 1.0
OD1 D:ASP82 4.1 24.7 1.0
HA D:ASP82 4.2 17.1 1.0
O D:HOH745 4.2 26.8 1.0
O B:HOH711 4.3 30.9 1.0
O B:HOH679 4.3 29.2 1.0
O D:HOH634 4.3 33.3 1.0
HB3 D:ASN81 4.3 14.3 1.0
O D:ASN81 4.3 14.8 1.0
O B:HOH885 4.4 42.8 1.0
ND2 D:ASN85 4.5 27.0 1.0
OD1 B:ASP288 4.5 36.8 1.0
C D:ASN81 4.7 12.5 1.0
HE3 D:LYS84 4.8 19.7 1.0
HD21 D:ASN85 4.9 32.4 1.0
HA B:TRP218 4.9 19.1 1.0
HB2 D:ASN81 4.9 14.3 1.0
HB3 B:TRP218 5.0 11.2 1.0
N D:ASP82 5.0 16.0 1.0

Magnesium binding site 5 out of 5 in 8frb

Go back to Magnesium Binding Sites List in 8frb
Magnesium binding site 5 out of 5 in the Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Mouse Acidic Mammalian Chitinase, Catalytic Domain in Complex with N, N'-Diacetylchitobiose at pH 5.25 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg402

b:19.7
occ:0.65
 O D:HOH848 2.0 27.6 1.0
O D:HOH841 2.0 35.1 1.0
O D:HOH875 2.1 26.8 1.0
O D:HOH626 4.0 32.4 1.0
O D:HOH696 4.2 28.6 1.0
O D:HOH665 4.2 27.5 1.0
O D:HOH778 4.4 30.2 1.0
HA D:TRP218 4.5 13.4 1.0
O D:HOH804 4.6 35.6 1.0
HB3 D:TRP218 4.7 15.1 1.0
OD1 D:ASP288 5.0 32.6 1.0

Reference:

R.E.Diaz, J.S.Fraser. Structural Characterization of Ligand Binding and pH-Specific Enzymatic Activity of Mouse Acidic Mammalian Chitinase To Be Published.
Page generated: Fri Apr 7 09:42:46 2023

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