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Calcium in PDB 4hap: Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose

Enzymatic activity of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose

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

Protein crystallography data

The structure of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose, PDB code: 4hap was solved by R.N.A.Martin, J.E.Mcgeehan, 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) 39.90 / 1.60
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 52.260, 54.190, 72.450, 94.26, 96.02, 94.99
R / Rfree (%) 14.4 / 19.1

Calcium Binding Sites:

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

Calcium binding site 1 out of 5 in 4hap

Go back to Calcium Binding Sites List in 4hap
Calcium binding site 1 out of 5 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:36.4
occ:1.00
 O A:HOH1129 2.7 30.5 1.0
OG1 A:THR262 2.8 11.4 1.0
CB A:THR262 3.5 10.2 1.0
CG2 A:THR262 4.0 11.1 1.0
O A:HOH845 4.4 15.1 1.0
O A:HOH1111 4.7 39.4 1.0
CA A:THR262 4.8 9.0 1.0
N A:THR262 4.9 8.8 1.0

Calcium binding site 2 out of 5 in 4hap

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Calcium binding site 2 out of 5 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:40.9
occ:1.00
 O A:HOH820 2.2 26.0 1.0
O A:HOH850 2.2 26.6 1.0
O A:HOH851 2.2 27.1 1.0
O A:HOH1186 2.3 34.0 1.0
O A:HOH852 2.3 29.1 1.0
O A:HOH849 2.4 22.3 1.0
OE1 A:GLU226 4.1 23.3 1.0
OD2 A:ASP211 4.3 28.4 1.0
OE2 A:GLU226 4.4 29.3 1.0
O A:HOH1104 4.4 38.3 1.0
CD A:GLU226 4.7 21.2 1.0
O A:HOH1119 4.7 31.2 1.0
CG A:ASP211 4.9 20.0 1.0

Calcium binding site 3 out of 5 in 4hap

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Calcium binding site 3 out of 5 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:56.0
occ:1.00
 O A:HOH859 2.3 29.5 1.0
OE2 A:GLU86 2.3 38.2 1.0
O A:HOH862 2.4 30.1 1.0
O A:HOH861 2.6 47.4 1.0
CD A:GLU86 3.1 28.3 1.0
CG A:GLU86 3.3 22.1 1.0
O A:HOH962 3.6 30.5 1.0
OE1 A:GLU86 4.3 34.8 1.0
O A:HOH639 4.3 13.2 1.0
O A:GLU86 4.6 11.7 1.0
OD1 A:ASN87 4.7 11.2 1.0
CB A:GLU86 4.8 16.0 1.0

Calcium binding site 4 out of 5 in 4hap

Go back to Calcium Binding Sites List in 4hap
Calcium binding site 4 out of 5 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:72.9
occ:1.00
 O A:HOH932 2.1 35.0 1.0
O A:HOH737 2.6 15.9 1.0
O A:HOH959 2.7 25.1 1.0
O A:PRO413 2.9 12.5 1.0
O A:PHE362 3.3 12.8 1.0
OE1 A:GLU412 3.3 14.3 1.0
O1 A:TRS506 3.4 12.3 0.5
C1 A:TRS506 3.5 15.6 0.5
N A:ALA415 3.6 10.9 1.0
C A:GLY414 3.6 10.4 1.0
CG A:GLU412 3.7 12.3 1.0
C A:PRO413 3.8 12.1 1.0
CA A:GLY414 3.9 11.3 1.0
CD A:GLU412 4.0 13.3 1.0
O A:GLY414 4.2 10.2 1.0
C1 A:TRS506 4.2 15.7 0.5
CA A:ALA415 4.2 9.3 1.0
O A:HOH760 4.2 20.4 1.0
N A:GLY414 4.3 11.4 1.0
C A:PHE362 4.3 10.5 1.0
O A:GLU412 4.4 10.8 1.0
O A:HOH828 4.4 41.3 1.0
O3 A:TRS506 4.5 23.3 0.5
CB A:ALA415 4.6 10.1 1.0
C A:TRS506 4.6 16.9 0.5
NH2 A:ARG287 4.6 11.9 1.0
C3 A:TRS506 4.7 19.6 0.5
C2 A:TRS506 4.7 17.0 0.5
CA A:PHE362 4.7 11.1 1.0
OG A:SER410 4.7 11.7 1.0
CB A:PHE362 4.7 11.0 1.0
O A:HOH1032 4.8 26.6 1.0
OD1 A:ASP364 4.8 26.9 1.0
C A:GLU412 4.8 13.2 1.0

Calcium binding site 5 out of 5 in 4hap

Go back to Calcium Binding Sites List in 4hap
Calcium binding site 5 out of 5 in the Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of A GH7 Family Cellobiohydrolase From Limnoria Quadripunctata in Complex with Cellobiose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca502

b:41.6
occ:1.00
 O B:HOH792 2.0 26.2 1.0
O B:HOH838 2.1 26.5 1.0
O B:HOH790 2.2 22.4 1.0
O B:HOH837 2.2 26.6 1.0
O A:HOH848 2.2 32.8 1.0
O B:HOH836 2.3 25.6 1.0
OG B:SER114 4.0 10.4 1.0
O B:HOH860 4.2 22.9 1.0
O B:HOH725 4.3 14.6 1.0
O B:HOH739 4.4 22.8 1.0
OG1 B:THR117 4.5 14.0 1.0
O B:HOH1009 4.6 27.1 1.0
CB B:SER114 4.6 9.2 1.0
O B:HOH1125 4.6 28.5 1.0
O A:HOH948 4.7 32.6 1.0
O B:HOH768 4.7 24.0 1.0
O B:HOH905 4.7 31.1 1.0
O B:VAL116 4.9 12.7 1.0
O A:HOH1189 4.9 36.1 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: Sat Dec 12 04:50:12 2020

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