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Copper in PDB 5aa7: Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans

Enzymatic activity of Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans

All present enzymatic activity of Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans:
3.2.1.14;

Protein crystallography data

The structure of Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans, PDB code: 5aa7 was solved by S.Mekasha, Z.Forsberg, B.Dalhus, S.Choudhary, C.Schmidt-Dannert, G.Vaaje-Kolstad, V.Eijsink, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.17 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 31.760, 74.330, 119.230, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 17.4

Copper Binding Sites:

The binding sites of Copper atom in the Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans (pdb code 5aa7). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans, PDB code: 5aa7:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in 5aa7

Go back to Copper Binding Sites List in 5aa7
Copper binding site 1 out of 2 in the Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu1143

b:18.7
occ:1.00
 NE2 A:HIS109 2.1 16.1 1.0
ND1 A:HIS32 2.1 15.1 1.0
N A:HIS32 2.3 12.6 1.0
CG A:HIS32 3.0 14.1 1.0
CD2 A:HIS109 3.0 14.9 1.0
CE1 A:HIS109 3.1 17.8 1.0
CE1 A:HIS32 3.1 17.1 1.0
CA A:HIS32 3.2 11.2 1.0
CB A:HIS32 3.2 13.4 1.0
CZ A:PHE164 3.3 14.4 1.0
O A:HOH2003 3.8 42.9 1.0
CB A:ALA107 3.9 15.7 1.0
CE1 A:PHE164 4.0 13.8 1.0
CE2 A:PHE164 4.1 13.6 1.0
CD2 A:HIS32 4.1 15.8 1.0
ND1 A:HIS109 4.1 16.4 1.0
CG A:HIS109 4.1 13.4 1.0
NE2 A:HIS32 4.2 16.1 1.0
O A:ALA107 4.2 13.1 1.0
O A:HOH2048 4.2 38.3 1.0
O A:HOH2124 4.4 28.3 1.0
C A:HIS32 4.5 11.7 1.0
O A:HIS32 4.9 13.3 1.0
CA A:ALA107 5.0 14.1 1.0

Copper binding site 2 out of 2 in 5aa7

Go back to Copper Binding Sites List in 5aa7
Copper binding site 2 out of 2 in the Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Structural and Functional Characterization of A Chitin-Active 15.5 kDa Lytic Polysaccharide Monooxygenase Domain From A Modular Chitinase From Jonesia Denitrificans within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu1143

b:19.8
occ:1.00
 ND1 B:HIS32 2.1 13.6 1.0
NE2 B:HIS109 2.1 17.2 1.0
N B:HIS32 2.3 14.0 1.0
CG B:HIS32 3.0 13.2 1.0
CD2 B:HIS109 3.1 18.1 1.0
CE1 B:HIS109 3.1 22.6 1.0
CZ B:PHE164 3.1 15.0 1.0
CA B:HIS32 3.1 13.9 1.0
CE1 B:HIS32 3.1 13.8 1.0
CB B:HIS32 3.2 13.4 1.0
CE1 B:PHE164 3.8 11.4 1.0
CE2 B:PHE164 3.9 13.2 1.0
CB B:ALA107 3.9 20.7 1.0
O A:ASN159 4.0 18.6 1.0
ND1 B:HIS109 4.2 19.9 1.0
CD2 B:HIS32 4.2 12.5 1.0
CG B:HIS109 4.2 17.9 1.0
O B:ALA107 4.2 18.4 1.0
NE2 B:HIS32 4.2 16.4 1.0
O A:HOH2178 4.5 34.1 1.0
C B:HIS32 4.5 13.5 1.0
OE1 B:GLU65 4.7 20.1 1.0
C A:ASN159 4.8 15.8 1.0
O B:HIS32 4.9 13.6 1.0

Reference:

S.Mekasha, Z.Forsberg, B.Dalhus, J.Bacik, S.Choudhary, C.Schmidt-Dannert, G.Vaaje-Kolstad, V.G.H.Eijsink. Structural and Functional Characterization of A Small Chitin-Active Lytic Polysaccharide Monooxygenase Domain of A Multi-Modular Chitinase From Jonesia Denitrificans. Febs Lett. V. 590 34 2016.
ISSN: ISSN 0014-5793
PubMed: 26763108
DOI: 10.1002/1873-3468.12025
Page generated: Sun Dec 13 11:16:52 2020

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