Calcium in PDB 1e5n: E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose

All present enzymatic activity of E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose:
3.2.1.8;

The structure of E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose, PDB code: 1e5n was solved by L.Lo Leggio, J.A.Jenkins, G.W.Harris, R.W.Pickersgill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.70 / 3.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	96.700, 96.700, 152.700, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 24.5

The binding sites of Calcium atom in the E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose (pdb code 1e5n). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose, PDB code: 1e5n:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca348 b:31.8 occ:1.00 O A:ASN258 2.1 39.3 1.0 OD1 A:ASP256 2.2 27.8 1.0 OD1 A:ASP262 2.4 29.4 1.0 O A:ASN253 2.5 27.9 1.0 OD1 A:ASN261 2.6 28.7 1.0 OD2 A:ASP256 2.6 27.8 1.0 CG A:ASP256 2.8 27.8 1.0 CG A:ASP262 3.2 29.4 1.0 C A:ASN258 3.4 39.3 1.0 OD2 A:ASP262 3.4 29.4 1.0 CG A:ASN261 3.6 28.7 1.0 C A:ASN253 3.7 27.9 1.0 ND2 A:ASN261 4.1 28.7 1.0 N A:SER259 4.3 25.5 1.0 N A:ASN258 4.3 39.3 1.0 CA A:SER259 4.3 25.5 1.0 CB A:ASP256 4.3 27.8 1.0 CA A:ASN258 4.3 39.3 1.0 CA A:PRO254 4.4 36.5 1.0 N A:PRO254 4.4 36.5 1.0 CB A:ASN258 4.5 31.3 1.0 CB A:ASP262 4.6 29.4 1.0 N A:ASP262 4.7 17.1 1.0 N A:ASN253 4.7 27.9 1.0 CA A:ASN253 4.7 27.9 1.0 C A:ASN261 4.8 34.4 1.0 N A:ASP256 4.8 24.5 1.0 CA A:ASP262 4.9 17.1 1.0 C A:PRO254 5.0 36.5 1.0 C A:SER259 5.0 25.5 1.0 CB A:ASN261 5.0 28.7 1.0 CA A:ASP256 5.0 24.5 1.0

Calcium binding site 2 out of 2 in the E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of E246C Mutant of P Fluorescens Subsp. Cellulosa Xylanase A in Complex with Xylopentaose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca348 b:31.8 occ:1.00 O B:ASN258 2.1 39.3 1.0 OD1 B:ASP256 2.2 27.8 1.0 OD1 B:ASP262 2.4 29.4 1.0 O B:ASN253 2.5 27.9 1.0 OD1 B:ASN261 2.6 28.7 1.0 OD2 B:ASP256 2.6 27.8 1.0 CG B:ASP256 2.8 27.8 1.0 CG B:ASP262 3.2 29.4 1.0 C B:ASN258 3.4 39.3 1.0 OD2 B:ASP262 3.4 29.4 1.0 CG B:ASN261 3.6 28.7 1.0 C B:ASN253 3.7 27.9 1.0 ND2 B:ASN261 4.1 28.7 1.0 N B:SER259 4.3 25.5 1.0 N B:ASN258 4.3 39.3 1.0 CA B:SER259 4.3 25.5 1.0 CB B:ASP256 4.3 27.8 1.0 CA B:ASN258 4.3 39.3 1.0 CA B:PRO254 4.4 36.5 1.0 N B:PRO254 4.4 36.5 1.0 CB B:ASN258 4.5 31.3 1.0 CB B:ASP262 4.6 29.4 1.0 N B:ASP262 4.7 17.1 1.0 N B:ASN253 4.7 27.9 1.0 CA B:ASN253 4.7 27.9 1.0 C B:ASN261 4.8 34.4 1.0 N B:ASP256 4.8 24.5 1.0 CA B:ASP262 4.9 17.1 1.0 C B:PRO254 5.0 36.5 1.0 C B:SER259 5.0 25.5 1.0 CB B:ASN261 5.0 28.7 1.0 CA B:ASP256 5.0 24.5 1.0

L.L.Leggio, J.Jenkins, G.W.Harris, R.W.Pickersgill. X-Ray Crystallographic Study of Xylopentaose Binding to Pseudomonas Fluorescens Xylanase A. Proteins V. 41 362 2000.
ISSN: ISSN 0887-3585
PubMed: 11025547