Potassium in PDB 4xeb: The Structure of P. Funicolosum CEL7A

The structure of The Structure of P. Funicolosum CEL7A, PDB code: 4xeb was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.972, 61.836, 85.849, 90.00, 98.77, 90.00
R / Rfree (%)	13.8 / 20.3

The structure of The Structure of P. Funicolosum CEL7A also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Potassium atom in the The Structure of P. Funicolosum CEL7A (pdb code 4xeb). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the The Structure of P. Funicolosum CEL7A, PDB code: 4xeb:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the The Structure of P. Funicolosum CEL7A


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of The Structure of P. Funicolosum CEL7A within 5.0Å range: probe atom residue distance (Å) B Occ A:K506 b:15.0 occ:1.00 OE2 A:GLU209 2.7 8.1 1.0 O1A A:CE6505 2.7 7.9 1.0 OD2 A:ASP170 2.8 7.7 1.0 O A:HOH998 2.9 19.9 1.0 O A:HOH1087 2.9 13.2 1.0 OE1 A:GLU209 3.0 8.4 1.0 CD A:GLU209 3.2 8.1 1.0 O A:HOH950 3.4 7.1 0.3 CG A:ASP170 3.5 7.0 1.0 CG A:GLN172 3.8 11.0 1.0 C1A A:CE6505 3.9 8.2 1.0 O5A A:CE6505 4.0 8.0 1.0 OD1 A:ASP170 4.0 6.6 1.0 O A:HOH904 4.0 19.5 1.0 O A:HOH695 4.1 12.6 1.0 CB A:ASP170 4.2 6.3 1.0 OH A:TYR168 4.2 5.5 1.0 O A:HOH950 4.5 7.2 0.7 CB A:GLN172 4.6 10.2 1.0 CG A:GLU209 4.8 7.6 1.0 OD2 A:ASP211 4.8 9.1 1.0 OD1 A:ASP211 4.9 8.5 1.0 OG A:SER171 4.9 7.6 1.0 CD A:GLN172 4.9 12.2 1.0 NE2 A:GLN172 5.0 14.5 1.0 N A:GLN172 5.0 8.6 1.0 CE2 A:TYR142 5.0 4.4 1.0 C2A A:CE6505 5.0 8.0 1.0

Potassium binding site 2 out of 3 in the The Structure of P. Funicolosum CEL7A


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of The Structure of P. Funicolosum CEL7A within 5.0Å range: probe atom residue distance (Å) B Occ A:K507 b:19.2 occ:1.00 O A:HOH1195 2.6 28.0 0.6 O A:HOH983 2.7 18.7 1.0 OG1 A:THR86 2.7 8.7 1.0 O A:THR86 2.7 8.8 1.0 O A:HOH1082 2.8 12.1 1.0 O A:HOH1015 3.3 19.5 0.6 C A:THR86 3.5 10.1 1.0 CB A:THR86 3.9 8.9 1.0 CA A:THR86 4.0 9.1 1.0 N A:THR86 4.1 9.3 1.0 O A:HOH1359 4.1 26.1 1.0 O A:HOH1265 4.1 26.4 1.0 O A:HOH1124 4.2 39.6 1.0 N A:SER87 4.4 10.0 1.0 O A:SER13 4.6 7.5 0.4 O A:SER13 4.7 7.5 0.6 CA A:SER87 4.8 10.5 1.0 N A:SER13 4.8 8.0 0.6 N A:SER13 4.9 8.1 0.4 O A:HOH1016 4.9 19.7 0.7

Potassium binding site 3 out of 3 in the The Structure of P. Funicolosum CEL7A


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of The Structure of P. Funicolosum CEL7A within 5.0Å range: probe atom residue distance (Å) B Occ A:K508 b:32.1 occ:1.00 O A:THR399 2.8 12.9 1.0 O A:HOH955 2.8 28.3 1.0 O A:HOH892 2.9 19.4 1.0 O A:HOH650 3.7 38.0 1.0 C A:THR399 3.8 12.7 1.0 CA A:CYS400 4.0 12.0 1.0 N A:ALA401 4.2 13.2 1.0 N A:CYS400 4.3 12.2 1.0 C A:CYS400 4.4 12.3 1.0 OG1 A:THR399 4.5 12.0 1.0 O A:HOH1223 4.6 46.3 1.0 CB A:THR399 4.6 12.6 1.0 CA A:THR399 4.8 11.9 1.0

L.E.Taylor, B.C.Knott, J.O.Baker, P.M.Alahuhta, S.E.Hobdey, J.G.Linger, V.V.Lunin, A.Amore, V.Subramanian, K.Podkaminer, Q.Xu, T.A.Vanderwall, L.A.Schuster, Y.B.Chaudhari, W.S.Adney, M.F.Crowley, M.E.Himmel, S.R.Decker, G.T.Beckham. Engineering Enhanced Cellobiohydrolase Activity Nat Commun V.9(1) 1186 2018.
ISSN: ESSN 2041-1723