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Magnesium in PDB 4gwa: Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata

Enzymatic activity of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata

All present enzymatic activity of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata:
3.2.1.91;

Protein crystallography data

The structure of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata, PDB code: 4gwa was solved by J.E.Mcgeehan, R.N.A.Martin, S.D.Streeter, S.M.Cragg, M.J.Guille, K.M.Schnorr, M.Kern, N.C.Bruce, S.J.Mcqueen-Mason, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 51.920, 54.050, 71.970, 94.13, 95.70, 94.64
R / Rfree (%) 14.8 / 18.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata (pdb code 4gwa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata, PDB code: 4gwa:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in 4gwa

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Magnesium binding site 1 out of 8 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg501

b:28.2
occ:1.00
 O A:HOH881 2.0 31.5 1.0
O A:HOH890 2.1 21.5 1.0
O A:HOH994 2.1 29.2 1.0
O A:HOH813 2.1 24.2 1.0
O A:HOH995 2.1 32.8 1.0
OD2 A:ASP80 2.2 23.7 1.0
CG A:ASP80 3.1 18.2 1.0
OD1 A:ASP80 3.5 16.8 1.0
O A:HOH863 4.0 30.3 1.0
OG1 A:THR83 4.1 15.2 1.0
CB A:ASP80 4.4 14.8 1.0

Magnesium binding site 2 out of 8 in 4gwa

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Magnesium binding site 2 out of 8 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:24.9
occ:1.00
 O A:HOH733 2.0 23.0 1.0
O A:HOH752 2.1 26.7 1.0
O A:HOH832 2.1 23.1 1.0
O A:HOH697 2.1 20.8 1.0
O A:HOH983 2.1 26.9 1.0
OE2 A:GLU139 2.1 17.1 1.0
CD A:GLU139 3.2 14.5 1.0
OE1 A:GLU139 3.5 12.6 1.0
O A:HOH973 4.1 17.7 1.0
NH1 A:ARG40 4.1 23.5 1.0
O A:ILE140 4.2 10.6 1.0
O A:HOH1069 4.3 34.9 1.0
O A:HOH613 4.4 17.4 1.0
N A:ILE140 4.4 10.2 1.0
CG A:GLU139 4.5 11.7 1.0
CB A:ALA133 4.9 11.7 1.0

Magnesium binding site 3 out of 8 in 4gwa

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Magnesium binding site 3 out of 8 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg503

b:29.1
occ:1.00
 O A:HOH992 1.9 30.1 1.0
O A:HOH989 2.1 30.8 1.0
O A:HOH993 2.1 30.7 1.0
O A:HOH991 2.2 29.5 1.0
O A:HOH990 2.2 29.4 1.0
OE1 A:GLU226 4.2 27.4 1.0
OD2 A:ASP211 4.3 20.0 1.0
OE2 A:GLU226 4.3 31.0 1.0
CD A:GLU226 4.7 25.3 1.0
CG A:ASP211 4.8 19.0 1.0

Magnesium binding site 4 out of 8 in 4gwa

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Magnesium binding site 4 out of 8 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg501

b:19.5
occ:1.00
 O B:HOH947 2.0 22.3 1.0
OE2 B:GLU139 2.0 14.6 1.0
O B:HOH945 2.1 22.2 1.0
O B:HOH944 2.1 20.2 1.0
O B:HOH744 2.2 25.2 1.0
O B:HOH946 2.2 21.8 1.0
CD B:GLU139 3.0 15.1 1.0
OE1 B:GLU139 3.4 15.7 1.0
NH1 B:ARG40 4.0 26.6 1.0
O B:HOH711 4.0 21.7 1.0
O B:ILE140 4.2 12.8 1.0
O B:HOH827 4.2 40.4 1.0
O B:HOH915 4.3 39.2 1.0
O B:HOH1070 4.3 36.9 1.0
CG B:GLU139 4.3 12.7 1.0
O B:HOH623 4.4 23.2 1.0
N B:ILE140 4.5 11.0 1.0
CB B:ALA133 4.8 11.4 1.0

Magnesium binding site 5 out of 8 in 4gwa

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Magnesium binding site 5 out of 8 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:24.1
occ:1.00
 O B:HOH959 2.0 26.8 1.0
O B:HOH1060 2.1 32.7 1.0
O B:HOH961 2.1 28.8 1.0
O B:HOH960 2.2 34.0 1.0
OE2 B:GLU62 4.1 36.6 1.0
OE1 B:GLU62 4.9 38.5 1.0
CD B:GLU62 4.9 37.8 1.0

Magnesium binding site 6 out of 8 in 4gwa

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Magnesium binding site 6 out of 8 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg503

b:27.2
occ:1.00
 O B:HOH957 1.9 30.1 1.0
O B:HOH954 2.0 24.5 1.0
O B:HOH955 2.1 29.9 1.0
O B:HOH956 2.1 27.6 1.0
O A:HOH986 2.3 36.5 1.0
OG B:SER114 4.1 13.7 1.0
O B:HOH654 4.3 17.4 1.0
OG1 B:THR117 4.3 15.9 1.0
O A:HOH908 4.4 31.9 1.0
O B:HOH825 4.4 30.0 1.0
O B:HOH1012 4.4 30.1 1.0
O A:HOH945 4.5 40.6 1.0
O B:HOH784 4.5 25.3 1.0
O B:VAL116 4.6 15.1 1.0
O A:HOH849 4.6 46.1 1.0
CB B:SER114 4.6 13.3 1.0
O A:HOH696 4.7 15.9 1.0
O B:HOH935 4.9 38.0 1.0

Magnesium binding site 7 out of 8 in 4gwa

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Magnesium binding site 7 out of 8 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg504

b:28.0
occ:1.00
 O B:HOH1092 1.9 32.3 1.0
O B:HOH953 2.0 32.2 1.0
O B:HOH857 2.1 35.8 1.0
O B:HOH952 2.1 22.2 1.0
O B:HOH634 2.2 25.4 1.0
O B:HOH951 2.4 30.5 1.0
O B:HOH938 4.1 31.3 1.0
O B:HOH992 4.3 27.6 1.0
O B:TYR256 4.3 11.5 1.0
OG1 B:THR257 4.4 12.1 1.0
O B:ASP254 4.4 15.8 1.0
O B:HOH633 4.5 20.0 1.0
CG2 B:THR257 4.9 11.8 1.0

Magnesium binding site 8 out of 8 in 4gwa

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Magnesium binding site 8 out of 8 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg505

b:27.3
occ:1.00
 O B:HOH1090 1.8 29.1 1.0
O B:HOH941 2.0 27.2 1.0
O B:HOH921 2.1 27.8 1.0
O B:HOH978 2.1 28.7 1.0
O B:HOH674 2.2 18.5 1.0
O B:HOH988 2.2 30.7 1.0
OD2 B:ASP151 3.9 17.7 1.0
O B:HOH763 4.1 25.8 1.0
OD1 B:ASP151 4.1 16.7 1.0
O B:HOH1074 4.3 46.5 1.0
OG1 B:THR307 4.3 14.7 1.0
CG B:ASP151 4.4 16.9 1.0
O B:HOH629 4.5 15.7 1.0
ND2 B:ASN443 4.5 21.5 1.0
CG2 B:THR307 4.9 13.5 1.0

Reference:

M.Kern, J.E.Mcgeehan, S.D.Streeter, R.N.Martin, K.Besser, L.Elias, W.Eborall, G.P.Malyon, C.M.Payne, M.E.Himmel, K.Schnorr, G.T.Beckham, S.M.Cragg, N.C.Bruce, S.J.Mcqueen-Mason. Structural Characterization of A Unique Marine Animal Family 7 Cellobiohydrolase Suggests A Mechanism of Cellulase Salt Tolerance Proc.Natl.Acad.Sci.Usa V. 110 10189 2013.
ISSN: ISSN 0027-8424
PubMed: 23733951
DOI: 10.1073/PNAS.1301502110
Page generated: Fri Aug 16 16:02:24 2024

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