Chlorine in PDB 7pyu: Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy

The structure of Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy, PDB code: 7pyu was solved by T.Tandrup, S.J.Muderspach, S.Banerjee, J.O.Ipsen, C.H.Rollan, M.H.H.Norholm, K.S.Johansen, L.Lo Leggio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.83 / 1.40
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	48.83, 48.83, 108.78, 90, 90, 90
R / Rfree (%)	14.2 / 16.2

The structure of Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy also contains other interesting chemical elements:

Copper

(Cu)

1 atom

The binding sites of Chlorine atom in the Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy (pdb code 7pyu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy, PDB code: 7pyu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:16.4 occ:0.70 O A:ILE165 2.7 9.6 1.0 O A:HOH519 2.7 10.0 1.0 O A:HOH493 2.7 9.4 1.0 CD A:PRO25 3.4 11.1 1.0 ND2 A:ASN42 3.4 10.5 1.0 CG A:PRO25 3.5 10.2 1.0 C A:ILE165 3.6 9.3 1.0 CB A:SER166 3.7 9.9 1.0 CD2 A:LEU3 3.7 11.6 1.0 CA A:SER166 3.8 9.8 1.0 OG A:SER166 4.1 9.9 1.0 N A:SER166 4.1 8.8 1.0 O A:HOH468 4.1 9.7 1.0 CG A:ASN42 4.4 11.0 1.0 N A:ILE165 4.4 9.0 1.0 CA A:LEU3 4.5 10.2 1.0 CZ3 A:TRP64 4.7 9.4 1.0 CB A:ASN42 4.7 9.9 1.0 CA A:ILE165 4.7 8.4 1.0 O A:THR2 4.7 10.9 1.0 CB A:PRO25 4.7 10.8 1.0 N A:VAL4 4.8 9.4 1.0 O A:HOH486 4.8 10.7 1.0 CG A:LEU3 4.8 10.3 1.0 N A:PRO25 4.8 10.9 1.0 CB A:LEU3 5.0 10.3 1.0 CH2 A:TRP64 5.0 10.0 1.0 O A:HOH477 5.0 10.0 1.0

Chlorine binding site 2 out of 2 in the Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of An Lpmo (Expressed in E.Coli) at 1.49X10^4 Gy within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:24.6 occ:1.00 O A:HOH547 2.2 35.1 1.0 CU A:CU301 2.3 10.6 0.9 O A:HOH777 2.6 42.5 1.0 NE2 A:HIS78 3.0 11.7 1.0 ND1 A:HIS1 3.1 10.8 1.0 CE1 A:HIS1 3.1 11.7 1.0 CE1 A:HIS78 3.3 11.3 1.0 OE1 A:GLN162 3.5 14.8 1.0 NE2 A:GLN162 3.6 16.0 1.0 OH A:TYR164 3.6 11.1 1.0 NE2 A:HIS147 3.8 15.2 1.0 C4 E:BGC2 3.9 23.9 1.0 CD A:GLN162 3.9 13.6 1.0 C1 E:BGC3 4.2 23.1 1.0 CD2 A:HIS78 4.2 11.7 1.0 C6 E:BGC2 4.2 17.8 1.0 CE1 A:HIS147 4.2 14.3 1.0 NE2 A:HIS1 4.4 11.9 1.0 CG A:HIS1 4.4 10.9 1.0 N A:HIS1 4.4 11.4 1.0 ND1 A:HIS78 4.4 11.2 1.0 O4 E:BGC2 4.5 25.2 1.0 O A:HOH417 4.5 20.8 0.5 C5 E:BGC2 4.6 21.1 1.0 O A:HOH767 4.6 43.9 1.0 O5 E:BGC2 4.8 19.7 1.0 O3 E:BGC2 4.8 27.3 1.0 O5 E:BGC3 4.8 26.3 1.0 C3 E:BGC2 4.8 26.1 1.0 CG A:HIS78 4.9 11.7 1.0 CZ A:TYR164 5.0 10.3 1.0

T.Tandrup, S.J.Muderspach, S.Banerjee, G.Santoni, J.O.Ipsen, C.Hernandez-Rollan, M.H.H.Norholm, K.S.Johansen, F.Meilleur, L.Lo Leggio. Changes in Active-Site Geometry on X-Ray Photoreduction of A Lytic Polysaccharide Monooxygenase Active-Site Copper and Saccharide Binding. Iucrj V. 9 666 2022.
ISSN: ESSN 2052-2525
PubMed: 36071795
DOI: 10.1107/S2052252522007175