Copper in PDB 5vg1: Neutron Crystallographic Structure of A Jonesia Denitrificans Lytic Polysaccharide Monooxygenase

All present enzymatic activity of Neutron Crystallographic Structure of A Jonesia Denitrificans Lytic Polysaccharide Monooxygenase:
3.2.1.14;

The binding sites of Copper atom in the Neutron Crystallographic Structure of A Jonesia Denitrificans Lytic Polysaccharide Monooxygenase (pdb code 5vg1). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Neutron Crystallographic Structure of A Jonesia Denitrificans Lytic Polysaccharide Monooxygenase, PDB code: 5vg1:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Neutron Crystallographic Structure of A Jonesia Denitrificans Lytic Polysaccharide Monooxygenase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Neutron Crystallographic Structure of A Jonesia Denitrificans Lytic Polysaccharide Monooxygenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:42.9 occ:1.00 D1 A:HOH419 2.4 51.3 0.0 O A:HOH419 2.5 42.7 1.0 NE2 A:HIS109 2.6 20.2 1.0 ND1 A:HIS32 2.6 52.0 1.0 D2 A:HOH419 2.7 51.3 0.9 HE1 A:HIS109 2.9 35.6 1.0 CE1 A:HIS109 3.1 29.6 1.0 CE1 A:HIS32 3.1 55.5 1.0 HB3 A:ALA107 3.2 30.1 1.0 HE1 A:HIS32 3.2 66.6 1.0 N A:HIS32 3.4 16.5 1.0 CG A:HIS32 3.5 35.4 1.0 HZ A:PHE164 3.6 44.4 1.0 D1 A:HOH412 3.8 46.8 0.8 HB2 A:HIS32 3.8 25.0 1.0 CD2 A:HIS109 3.8 37.5 1.0 HB1 A:ALA107 4.0 30.1 1.0 CB A:ALA107 4.0 25.0 1.0 CB A:HIS32 4.0 20.9 1.0 NE2 A:HIS32 4.2 43.1 1.0 HD2 A:HIS109 4.3 44.9 1.0 CA A:HIS32 4.3 27.8 1.0 HB2 A:ALA107 4.3 30.1 1.0 ND1 A:HIS109 4.3 33.1 1.0 CD2 A:HIS32 4.4 52.6 1.0 CZ A:PHE164 4.6 37.0 1.0 HA A:HIS32 4.6 33.4 1.0 O A:HOH412 4.7 39.0 1.0 CG A:HIS109 4.7 32.4 1.0 O A:ALA107 4.9 45.2 1.0 D2 A:HOH412 4.9 46.8 0.6 HE2 A:HIS32 5.0 51.7 1.0 DE2 A:HIS32 5.0 51.7 0.0

Copper binding site 2 out of 2 in the Neutron Crystallographic Structure of A Jonesia Denitrificans Lytic Polysaccharide Monooxygenase


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Neutron Crystallographic Structure of A Jonesia Denitrificans Lytic Polysaccharide Monooxygenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:41.5 occ:1.00 O A:HOH313 2.4 20.6 1.0 NE2 B:HIS109 2.5 42.4 1.0 ND1 B:HIS32 2.5 21.3 1.0 O2 B:PER202 2.5 36.8 1.0 D1 A:HOH313 2.5 24.7 0.0 HZ B:PHE164 2.9 31.8 1.0 HE1 B:HIS109 2.9 60.0 1.0 N B:HIS32 2.9 31.0 1.0 D2 A:HOH313 3.0 24.7 0.0 CE1 B:HIS109 3.0 50.0 1.0 CE1 B:HIS32 3.2 23.9 1.0 CG B:HIS32 3.3 31.1 1.0 O1 B:PER202 3.4 36.2 1.0 HE1 B:HIS32 3.4 28.6 1.0 O A:ASN159 3.4 31.1 1.0 HB2 B:HIS32 3.6 25.8 1.0 HB3 B:ALA107 3.6 43.4 1.0 CD2 B:HIS109 3.7 34.1 1.0 CB B:HIS32 3.7 21.5 1.0 CA B:HIS32 3.8 42.2 1.0 CZ B:PHE164 3.8 26.5 1.0 D2 B:HOH325 4.0 27.8 0.0 HA B:HIS32 4.0 50.7 1.0 NE2 B:HIS32 4.1 19.8 1.0 HD2 B:HIS109 4.2 41.0 1.0 CD2 B:HIS32 4.2 27.1 1.0 HA A:THR160 4.2 22.1 1.0 HB1 B:ALA107 4.3 43.4 1.0 ND1 B:HIS109 4.3 50.5 1.0 CB B:ALA107 4.4 36.1 1.0 C A:ASN159 4.4 36.6 1.0 HE1 B:PHE164 4.5 44.2 1.0 HE2 B:PHE164 4.5 38.2 1.0 OE1 B:GLU65 4.6 39.8 1.0 CE1 B:PHE164 4.6 36.8 1.0 CE2 B:PHE164 4.7 31.8 1.0 CG B:HIS109 4.7 49.3 1.0 HB2 A:ASN159 4.7 58.4 1.0 HA A:ASN159 4.8 38.2 1.0 O B:HOH325 4.8 23.2 1.0 HB3 B:HIS32 4.8 25.8 1.0 O B:ALA107 4.8 33.5 1.0 HB2 B:ALA107 4.9 43.4 1.0 DE2 B:HIS32 4.9 23.7 0.5 HE2 B:HIS32 4.9 23.7 0.5

J.P.Bacik, S.Mekasha, Z.Forsberg, A.Y.Kovalevsky, G.Vaaje-Kolstad, V.G.H.Eijsink, J.C.Nix, L.Coates, M.J.Cuneo, C.J.Unkefer, J.C.Chen. Neutron and Atomic Resolution X-Ray Structures of A Lytic Polysaccharide Monooxygenase Reveal Copper-Mediated Dioxygen Binding and Evidence For N-Terminal Deprotonation. Biochemistry V. 56 2529 2017.
ISSN: ISSN 1520-4995
PubMed: 28481095
DOI: 10.1021/ACS.BIOCHEM.7B00019