Calcium in PDB 4tf4: Endo/Exocellulase:Cellopentaose From Thermomonospora

All present enzymatic activity of Endo/Exocellulase:Cellopentaose From Thermomonospora:
3.2.1.4;

The structure of Endo/Exocellulase:Cellopentaose From Thermomonospora, PDB code: 4tf4 was solved by J.Sakon, D.B.Wilson, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	145.680, 145.680, 157.080, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / n/a

The binding sites of Calcium atom in the Endo/Exocellulase:Cellopentaose From Thermomonospora (pdb code 4tf4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Endo/Exocellulase:Cellopentaose From Thermomonospora, PDB code: 4tf4:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Endo/Exocellulase:Cellopentaose From Thermomonospora


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Endo/Exocellulase:Cellopentaose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3001 b:30.4 occ:1.00 OD1 A:ASP214 2.3 30.4 1.0 O A:ASP261 2.4 28.1 1.0 OG A:SER210 2.4 27.5 1.0 OD2 A:ASP214 2.4 36.0 1.0 OE1 A:GLU215 2.5 36.4 1.0 O A:GLY211 2.5 38.6 1.0 CG A:ASP214 2.7 36.4 1.0 OE2 A:GLU215 2.7 36.8 1.0 CD A:GLU215 2.9 27.9 1.0 C A:ASP261 3.6 27.0 1.0 C A:GLY211 3.7 34.4 1.0 CB A:SER210 3.8 22.7 1.0 N A:GLY211 4.1 32.9 1.0 CB A:ASP214 4.2 33.3 1.0 C A:SER210 4.2 33.7 1.0 OD2 A:ASP261 4.4 31.4 1.0 CA A:ASP262 4.4 38.6 1.0 N A:ASP262 4.4 36.3 1.0 CA A:SER210 4.5 27.1 1.0 CG A:GLU215 4.5 33.3 1.0 CG A:ASP261 4.5 25.6 1.0 CA A:ASP261 4.5 22.9 1.0 O A:HOH6264 4.6 54.0 1.0 CA A:GLY211 4.6 36.8 1.0 CZ A:PHE64 4.6 20.6 1.0 N A:TYR212 4.7 31.7 1.0 CA A:TYR212 4.7 33.6 1.0 N A:GLU215 4.7 27.8 1.0 O A:SER210 4.7 48.1 1.0 N A:SER210 4.7 32.1 1.0 OD1 A:ASP261 4.8 37.8 1.0 OG A:SER208 4.9 40.4 1.0 CD A:LYS263 4.9 27.6 1.0 NZ A:LYS263 4.9 34.1 1.0 N A:ASP214 4.9 43.6 1.0 N A:LYS263 5.0 41.0 1.0 CA A:ASP214 5.0 36.4 1.0

Calcium binding site 2 out of 4 in the Endo/Exocellulase:Cellopentaose From Thermomonospora


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Endo/Exocellulase:Cellopentaose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3002 b:41.8 occ:1.00 O A:ASP571 2.2 28.6 1.0 OD1 A:ASN574 2.3 32.4 1.0 OD2 A:ASP506 2.3 40.5 1.0 OD1 A:ASP575 2.4 48.4 1.0 O A:HOH6039 2.4 29.2 1.0 O A:THR504 2.5 37.8 1.0 OD1 A:ASP506 2.7 33.6 1.0 CG A:ASP506 2.8 28.9 1.0 CG A:ASN574 3.3 28.7 1.0 C A:ASP571 3.3 30.4 1.0 CG A:ASP575 3.4 38.8 1.0 C A:THR504 3.6 45.4 1.0 ND2 A:ASN574 3.7 34.1 1.0 OD2 A:ASP575 3.8 41.2 1.0 CA A:ASP571 4.1 36.9 1.0 N A:ASP571 4.2 35.2 1.0 N A:THR504 4.2 37.1 1.0 CB A:THR504 4.2 42.8 1.0 CA A:THR504 4.2 44.1 1.0 N A:PRO572 4.3 30.2 1.0 CB A:ASP506 4.3 46.3 1.0 CB A:ASP571 4.3 39.6 1.0 O A:HOH6079 4.3 34.6 1.0 CA A:PRO572 4.4 28.6 1.0 N A:ASP575 4.5 38.0 1.0 N A:ASP506 4.6 47.1 1.0 CB A:ASN574 4.6 18.9 1.0 C A:ASN574 4.6 25.3 1.0 N A:ASN574 4.7 28.6 1.0 C A:LEU505 4.7 48.7 1.0 CB A:ASP575 4.7 40.4 1.0 N A:LEU505 4.8 40.6 1.0 C A:PRO572 4.8 30.1 1.0 CA A:ASP506 4.9 49.1 1.0 CA A:ASN574 4.9 27.7 1.0 CA A:ASP575 4.9 34.8 1.0 CG2 A:THR504 5.0 47.8 1.0

Calcium binding site 3 out of 4 in the Endo/Exocellulase:Cellopentaose From Thermomonospora


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Endo/Exocellulase:Cellopentaose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3003 b:43.3 occ:1.00 O B:HOH6018 2.3 23.3 1.0 OD1 B:ASP214 2.3 35.8 1.0 OE1 B:GLU215 2.3 36.7 1.0 OD2 B:ASP214 2.4 47.6 1.0 O B:GLY211 2.4 41.8 1.0 O B:ASP261 2.4 47.5 1.0 OE2 B:GLU215 2.4 29.8 1.0 OG B:SER210 2.5 47.6 1.0 CG B:ASP214 2.7 35.9 1.0 CD B:GLU215 2.7 28.6 1.0 C B:GLY211 3.6 35.7 1.0 C B:ASP261 3.7 41.0 1.0 CB B:SER210 3.8 35.6 1.0 N B:GLY211 4.2 29.3 1.0 CB B:ASP214 4.2 35.9 1.0 CG B:GLU215 4.2 23.7 1.0 C B:SER210 4.3 34.8 1.0 CA B:ASP262 4.4 40.3 1.0 O B:HOH6449 4.4 80.9 1.0 N B:ASP262 4.5 41.0 1.0 CA B:TYR212 4.5 31.4 1.0 OD2 B:ASP261 4.5 35.2 1.0 N B:TYR212 4.5 32.1 1.0 CA B:SER210 4.5 36.5 1.0 N B:GLU215 4.5 35.4 1.0 CA B:GLY211 4.6 42.4 1.0 CG B:ASP261 4.6 38.5 1.0 OD1 B:ASP261 4.6 33.5 1.0 CA B:ASP261 4.7 36.0 1.0 O B:SER210 4.7 34.2 1.0 N B:ASP214 4.8 39.2 1.0 C B:TYR212 4.8 37.3 1.0 CZ B:PHE64 4.8 37.9 1.0 N B:SER210 4.9 44.1 1.0 CA B:ASP214 4.9 41.0 1.0 CD B:LYS263 4.9 45.5 1.0 NZ B:LYS263 4.9 46.4 1.0 CB B:GLU215 4.9 25.2 1.0 OG B:SER208 4.9 54.8 1.0 N B:LYS263 4.9 42.0 1.0

Calcium binding site 4 out of 4 in the Endo/Exocellulase:Cellopentaose From Thermomonospora


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Endo/Exocellulase:Cellopentaose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3004 b:30.9 occ:1.00 O B:HOH6133 2.1 41.7 1.0 OD1 B:ASN574 2.2 38.4 1.0 OD1 B:ASP575 2.3 34.6 1.0 O B:ASP571 2.4 23.7 1.0 O B:THR504 2.4 30.6 1.0 OD2 B:ASP506 2.5 27.7 1.0 OD1 B:ASP506 2.7 29.9 1.0 CG B:ASP506 3.0 22.5 1.0 CG B:ASP575 3.3 29.8 1.0 CG B:ASN574 3.4 26.1 1.0 C B:ASP571 3.5 24.1 1.0 C B:THR504 3.5 30.6 1.0 OD2 B:ASP575 3.6 29.5 1.0 ND2 B:ASN574 4.0 29.3 1.0 N B:THR504 4.0 35.0 1.0 CB B:THR504 4.0 27.1 1.0 CA B:THR504 4.1 36.6 1.0 CA B:ASP571 4.3 25.0 1.0 N B:ASP571 4.4 37.7 1.0 N B:ASP575 4.4 32.3 1.0 N B:PRO572 4.4 20.4 1.0 C B:ASN574 4.4 23.6 1.0 CB B:ASP506 4.4 27.9 1.0 CA B:PRO572 4.5 28.4 1.0 CB B:ASP571 4.5 25.9 1.0 O B:HOH6064 4.6 32.3 1.0 CB B:ASP575 4.6 23.7 1.0 N B:ASN574 4.6 32.7 1.0 N B:ASP506 4.6 22.0 1.0 CB B:ASN574 4.6 24.2 1.0 N B:LEU505 4.7 31.6 1.0 CA B:ASN574 4.7 26.2 1.0 O B:ASN574 4.8 27.6 1.0 CA B:ASP575 4.8 28.3 1.0 C B:LEU505 4.8 23.4 1.0 CG2 B:THR504 4.8 31.3 1.0 C B:PRO572 4.9 30.7 1.0 CA B:ASP506 5.0 29.1 1.0

J.Sakon, D.Irwin, D.B.Wilson, P.A.Karplus. Structure and Mechanism of Endo/Exocellulase E4 From Thermomonospora Fusca. Nat.Struct.Biol. V. 4 810 1997.
ISSN: ISSN 1072-8368
PubMed: 9334746
DOI: 10.1038/NSB1097-810