Calcium in PDB 3tf4: Endo/Exocellulase:Cellotriose From Thermomonospora

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

The structure of Endo/Exocellulase:Cellotriose From Thermomonospora, PDB code: 3tf4 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 / 2.20
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 (%)	21.4 / n/a

The binding sites of Calcium atom in the Endo/Exocellulase:Cellotriose From Thermomonospora (pdb code 3tf4). 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:Cellotriose From Thermomonospora, PDB code: 3tf4:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Endo/Exocellulase:Cellotriose 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:Cellotriose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3001 b:26.4 occ:1.00 OD1 A:ASP214 2.1 28.6 1.0 OD2 A:ASP214 2.1 46.4 1.0 OE2 A:GLU215 2.2 37.2 1.0 OE1 A:GLU215 2.3 36.1 1.0 OG A:SER210 2.3 22.5 1.0 O A:ASP261 2.3 32.8 1.0 O A:GLY211 2.4 31.3 1.0 CG A:ASP214 2.4 26.1 1.0 CD A:GLU215 2.6 20.1 1.0 C A:ASP261 3.6 28.6 1.0 C A:GLY211 3.6 20.2 1.0 CB A:SER210 3.7 18.9 1.0 CB A:ASP214 3.9 20.4 1.0 N A:GLY211 4.0 28.5 1.0 CG A:GLU215 4.1 22.4 1.0 CA A:ASP262 4.4 28.9 1.0 C A:SER210 4.4 27.4 1.0 OD1 A:ASP261 4.4 33.7 1.0 N A:ASP262 4.4 27.4 1.0 CG A:ASP261 4.5 24.1 1.0 N A:TYR212 4.5 26.8 1.0 OD2 A:ASP261 4.5 29.8 1.0 CA A:GLY211 4.5 24.9 1.0 CA A:TYR212 4.5 23.3 1.0 N A:GLU215 4.5 37.5 1.0 CA A:ASP261 4.5 26.2 1.0 CA A:SER210 4.6 21.6 1.0 CZ A:PHE64 4.6 15.8 1.0 N A:ASP214 4.7 35.6 1.0 CA A:ASP214 4.7 30.3 1.0 O A:HOH6284 4.8 51.4 1.0 CD A:LYS263 4.8 25.2 1.0 CB A:ASP151 4.9 25.2 1.0 NZ A:LYS263 4.9 30.9 1.0 CB A:GLU215 4.9 26.7 1.0 N A:LYS263 4.9 34.8 1.0 C A:TYR212 4.9 24.9 1.0 OG A:SER208 4.9 39.0 1.0 N A:SER210 4.9 33.0 1.0 C A:ASP214 5.0 30.6 1.0

Calcium binding site 2 out of 4 in the Endo/Exocellulase:Cellotriose 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:Cellotriose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3002 b:42.0 occ:1.00 O A:HOH6043 1.9 27.3 1.0 OD1 A:ASN574 2.0 34.0 1.0 OD1 A:ASP506 2.1 48.7 1.0 O A:ASP571 2.1 24.2 1.0 OD2 A:ASP506 2.3 53.6 1.0 CG A:ASP506 2.5 31.6 1.0 O A:THR504 2.5 41.8 1.0 OD1 A:ASP575 2.7 42.1 1.0 CG A:ASN574 3.0 29.8 1.0 ND2 A:ASN574 3.3 31.2 1.0 C A:ASP571 3.4 30.8 1.0 C A:THR504 3.7 41.5 1.0 CG A:ASP575 3.8 39.2 1.0 CB A:ASP506 4.0 47.4 1.0 OD2 A:ASP575 4.2 38.7 1.0 CA A:ASP571 4.2 38.9 1.0 N A:ASP571 4.3 34.6 1.0 CB A:ASP571 4.3 42.4 1.0 CB A:THR504 4.3 44.3 1.0 N A:PRO572 4.3 30.8 1.0 CB A:ASN574 4.3 20.1 1.0 CA A:THR504 4.4 43.1 1.0 N A:THR504 4.4 37.0 1.0 N A:ASP506 4.4 43.6 1.0 CA A:PRO572 4.5 28.6 1.0 O A:HOH6138 4.5 38.5 1.0 C A:ASN574 4.5 27.9 1.0 N A:ASN574 4.6 24.5 1.0 N A:ASP575 4.6 32.5 1.0 CA A:ASP506 4.6 45.5 1.0 C A:LEU505 4.7 43.0 1.0 CA A:ASN574 4.7 28.7 1.0 N A:LEU505 4.8 36.9 1.0 C A:PRO572 4.9 32.0 1.0 O A:ASN574 4.9 36.0 1.0 CG2 A:THR504 5.0 49.5 1.0

Calcium binding site 3 out of 4 in the Endo/Exocellulase:Cellotriose 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:Cellotriose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3003 b:33.9 occ:1.00 O B:HOH6017 1.8 19.8 1.0 OD2 B:ASP214 2.1 38.6 1.0 OE1 B:GLU215 2.1 42.2 1.0 OD1 B:ASP214 2.2 26.6 1.0 OE2 B:GLU215 2.2 39.2 1.0 OG B:SER210 2.3 40.7 1.0 O B:ASP261 2.4 44.7 1.0 CG B:ASP214 2.4 24.6 1.0 O B:GLY211 2.5 43.4 1.0 CD B:GLU215 2.5 27.5 1.0 C B:ASP261 3.6 35.9 1.0 CB B:SER210 3.7 24.7 1.0 C B:GLY211 3.7 32.3 1.0 CB B:ASP214 3.9 31.9 1.0 CG B:GLU215 4.0 22.1 1.0 N B:GLY211 4.1 30.1 1.0 CA B:ASP262 4.3 28.1 1.0 N B:GLU215 4.3 36.4 1.0 C B:SER210 4.4 31.5 1.0 O B:HOH6438 4.4 73.9 1.0 N B:ASP262 4.5 31.9 1.0 OD2 B:ASP261 4.5 35.4 1.0 CA B:TYR212 4.5 30.0 1.0 OD1 B:ASP261 4.5 30.9 1.0 CA B:SER210 4.5 36.8 1.0 CG B:ASP261 4.5 34.1 1.0 N B:TYR212 4.5 30.3 1.0 CA B:GLY211 4.6 33.2 1.0 N B:ASP214 4.6 39.9 1.0 CA B:ASP261 4.7 30.0 1.0 CB B:GLU215 4.7 22.7 1.0 CA B:ASP214 4.7 29.6 1.0 C B:TYR212 4.8 34.4 1.0 CD B:LYS263 4.8 38.4 1.0 CZ B:PHE64 4.9 29.4 1.0 C B:ASP214 4.9 33.2 1.0 N B:LYS263 4.9 40.8 1.0 N B:SER210 4.9 39.1 1.0 NZ B:LYS263 5.0 35.1 1.0 O B:SER210 5.0 28.7 1.0 CB B:ASP151 5.0 40.4 1.0

Calcium binding site 4 out of 4 in the Endo/Exocellulase:Cellotriose 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:Cellotriose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3004 b:27.7 occ:1.00 O B:HOH6138 1.9 37.5 1.0 OD1 B:ASN574 2.1 35.9 1.0 OD2 B:ASP506 2.2 24.2 1.0 OD1 B:ASP506 2.2 34.0 1.0 O B:ASP571 2.3 30.1 1.0 O B:THR504 2.4 27.5 1.0 OD1 B:ASP575 2.4 28.1 1.0 CG B:ASP506 2.6 16.1 1.0 CG B:ASN574 3.2 20.2 1.0 C B:ASP571 3.5 25.9 1.0 C B:THR504 3.5 30.0 1.0 CG B:ASP575 3.6 19.5 1.0 ND2 B:ASN574 3.7 31.3 1.0 CB B:ASP506 4.0 26.7 1.0 OD2 B:ASP575 4.1 19.6 1.0 CB B:THR504 4.1 26.6 1.0 N B:THR504 4.2 33.4 1.0 CA B:THR504 4.2 31.5 1.0 CA B:ASP571 4.3 24.1 1.0 CB B:ASP571 4.3 23.5 1.0 N B:ASP571 4.3 28.5 1.0 N B:ASP506 4.4 24.2 1.0 N B:ASP575 4.5 24.2 1.0 CB B:ASN574 4.5 20.8 1.0 N B:PRO572 4.5 19.0 1.0 N B:ASN574 4.5 24.4 1.0 C B:ASN574 4.5 21.4 1.0 N B:LEU505 4.6 26.6 1.0 CA B:PRO572 4.6 18.7 1.0 C B:LEU505 4.7 19.4 1.0 CA B:ASP506 4.7 25.8 1.0 CA B:ASN574 4.7 26.2 1.0 O B:HOH6076 4.7 30.3 1.0 CB B:ASP575 4.8 20.2 1.0 CA B:ASP575 4.9 21.0 1.0 O B:ASN574 4.9 29.7 1.0 CA B:LEU505 4.9 24.4 1.0 CG2 B:THR504 4.9 22.7 1.0 C B:PRO572 5.0 23.1 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