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Copper in PDB 5nkw: X-Ray Crystal Structure of An AA9 Lpmo

Protein crystallography data

The structure of X-Ray Crystal Structure of An AA9 Lpmo, PDB code: 5nkw was solved by T.Tandrup, K.E.H.Frandsen, J.-C.N.Poulsen, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 1.48
Space group P 41 3 2
Cell size a, b, c (Å), α, β, γ (°) 125.290, 125.290, 125.290, 90.00, 90.00, 90.00
R / Rfree (%) 12.3 / 17

Other elements in 5nkw:

The structure of X-Ray Crystal Structure of An AA9 Lpmo also contains other interesting chemical elements:

Chlorine (Cl) 17 atoms

Copper Binding Sites:

The binding sites of Copper atom in the X-Ray Crystal Structure of An AA9 Lpmo (pdb code 5nkw). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the X-Ray Crystal Structure of An AA9 Lpmo, PDB code: 5nkw:

Copper binding site 1 out of 1 in 5nkw

Go back to Copper Binding Sites List in 5nkw
Copper binding site 1 out of 1 in the X-Ray Crystal Structure of An AA9 Lpmo


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of X-Ray Crystal Structure of An AA9 Lpmo within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cu301

b:17.8
occ:1.00
ND1 A:HIC1 1.9 16.3 1.0
NE2 A:HIS78 2.0 17.4 1.0
O A:HOH622 2.2 17.4 0.4
N A:HIC1 2.3 16.2 1.0
OH A:TYR164 2.7 17.8 1.0
CG A:HIC1 2.9 15.2 1.0
CE1 A:HIS78 2.9 17.9 1.0
CE1 A:HIC1 2.9 16.3 1.0
CD2 A:HIS78 3.0 21.1 1.0
CA A:HIC1 3.3 15.7 1.0
CB A:HIC1 3.3 17.1 1.0
C6 A:BMA322 3.6 21.6 1.0
CZ A:TYR164 3.6 14.2 1.0
OE1 A:GLN162 3.8 20.4 1.0
CL A:CL306 3.9 23.1 0.7
NE2 A:HIC1 4.0 17.6 1.0
ND1 A:HIS78 4.1 19.4 1.0
CD2 A:HIC1 4.1 20.2 1.0
O A:HOH560 4.1 20.2 1.0
CG A:HIS78 4.1 17.1 1.0
O6 A:BMA322 4.2 22.0 1.0
CE1 A:TYR164 4.3 16.9 1.0
CE2 A:TYR164 4.4 16.3 1.0
C A:HIC1 4.6 15.1 1.0
C5 A:BMA322 4.6 23.2 1.0
O5 A:BMA322 4.6 23.6 1.0
C4 A:BMA322 4.9 23.5 1.0
CD A:GLN162 4.9 16.7 1.0
CE1 A:HIS147 4.9 22.8 1.0
NE2 A:HIS147 5.0 20.9 1.0

Reference:

T.J.Simmons, K.E.H.Frandsen, L.Ciano, T.Tryfona, N.Lenfant, J.C.Poulsen, L.F.L.Wilson, T.Tandrup, M.Tovborg, K.Schnorr, K.S.Johansen, B.Henrissat, P.H.Walton, L.Lo Leggio, P.Dupree. Structural and Electronic Determinants of Lytic Polysaccharide Monooxygenase Reactivity on Polysaccharide Substrates. Nat Commun V. 8 1064 2017.
ISSN: ESSN 2041-1723
PubMed: 29057953
DOI: 10.1038/S41467-017-01247-3
Page generated: Sun Dec 13 11:18:57 2020

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