Chlorine in PDB 6rs6: X-Ray Crystal Structure of LSAA9B

The structure of X-Ray Crystal Structure of LSAA9B, PDB code: 6rs6 was solved by K.E.H.Frandsen, M.Tovborg, J.C.N.Poulsen, 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)	19.93 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.190, 72.480, 78.560, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 18.2

The binding sites of Chlorine atom in the X-Ray Crystal Structure of LSAA9B (pdb code 6rs6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystal Structure of LSAA9B, PDB code: 6rs6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Crystal Structure of LSAA9B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of LSAA9B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:49.5 occ:1.00 NE2 A:HIS66 3.2 14.1 1.0 N A:ARG1 3.6 16.3 1.0 CD2 A:HIS66 3.8 11.9 1.0 CB A:ARG1 3.9 13.2 1.0 CB A:ASP81 4.0 20.1 1.0 CE1 A:HIS66 4.1 13.7 1.0 CG A:ARG1 4.2 16.0 1.0 CB A:SER77 4.2 13.1 1.0 CA A:ARG1 4.3 12.9 1.0 O A:ARG1 4.4 11.8 1.0 OG A:SER77 4.4 20.0 1.0 O A:HOH462 4.5 27.4 1.0 OD2 A:ASP81 4.6 29.2 1.0 CD A:ARG1 4.7 20.6 1.0 O A:HOH562 4.8 29.8 1.0 N A:ASP81 4.8 13.8 1.0 C A:ARG1 4.8 11.2 1.0 CG A:ASP81 4.9 22.5 1.0 CG A:HIS66 5.0 10.8 1.0 CA A:ASP81 5.0 15.7 1.0

Chlorine binding site 2 out of 2 in the X-Ray Crystal Structure of LSAA9B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of LSAA9B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:41.3 occ:1.00 ND2 A:ASN181 3.5 24.8 1.0 CB A:CYS142 3.6 16.2 1.0 CA A:CYS142 3.7 14.0 1.0 CB A:ASN181 4.0 18.0 1.0 CG A:ASN181 4.2 20.3 1.0 O A:SER141 4.2 13.3 1.0 N A:CYS142 4.2 13.5 1.0 OG A:SER141 4.4 21.6 1.0 C A:SER141 4.4 13.4 1.0 C A:CYS142 4.9 12.3 1.0

K.E.H.Frandsen, M.Tovborg, C.I.Jorgensen, N.Spodsberg, M.N.Rosso, G.R.Hemsworth, E.F.Garman, G.W.Grime, J.N.Poulsen, T.S.Batth, S.Miyauchi, A.Lipzen, C.Daum, I.V.Grigoriev, K.S.Johansen, B.Henrissat, J.G.Berrin, L.Lo Leggio. Insights Into An Unusual Auxiliary Activity 9 Family Member Lacking the Histidine Brace Motif of Lytic Polysaccharide Monooxygenases. J.Biol.Chem. V. 294 17117 2019.
ISSN: ESSN 1083-351X
PubMed: 31471321
DOI: 10.1074/JBC.RA119.009223