Calcium in PDB 1tf4: Endo/Exocellulase From Thermomonospora

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

The structure of Endo/Exocellulase From Thermomonospora, PDB code: 1tf4 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 / 1.90
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 (%)	20 / 25

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

Calcium binding site 1 out of 4 in the Endo/Exocellulase 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 From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3001 b:6.3 occ:1.00 OG A:SER210 2.2 26.6 1.0 OD2 A:ASP214 2.3 21.2 1.0 O A:ASP261 2.4 21.2 1.0 OE2 A:GLU215 2.4 29.9 1.0 OE1 A:GLU215 2.4 22.9 1.0 OD1 A:ASP214 2.5 30.9 1.0 O A:GLY211 2.5 38.6 1.0 CG A:ASP214 2.7 27.8 1.0 CD A:GLU215 2.8 20.4 1.0 CB A:SER210 3.5 11.7 1.0 C A:ASP261 3.6 17.6 1.0 C A:GLY211 3.6 23.6 1.0 N A:GLY211 4.0 20.4 1.0 C A:SER210 4.2 20.4 1.0 OD1 A:ASP261 4.2 33.6 1.0 CB A:ASP214 4.2 16.2 1.0 CG A:GLU215 4.3 16.1 1.0 CA A:ASP262 4.3 12.5 1.0 CA A:SER210 4.4 20.3 1.0 N A:ASP262 4.4 16.9 1.0 CA A:GLY211 4.5 19.2 1.0 N A:TYR212 4.6 25.4 1.0 CA A:TYR212 4.6 16.8 1.0 OG A:SER208 4.6 23.9 1.0 CA A:ASP261 4.6 16.5 1.0 N A:GLU215 4.7 17.0 1.0 O A:SER210 4.7 34.8 1.0 CZ A:PHE64 4.7 10.9 1.0 CG A:ASP261 4.8 20.3 1.0 N A:SER210 4.8 21.5 1.0 NZ A:LYS263 4.9 23.1 1.0 N A:ASP214 4.9 29.8 1.0 CD A:LYS263 4.9 24.4 1.0 N A:LYS263 5.0 21.5 1.0 CA A:ASP214 5.0 18.7 1.0

Calcium binding site 2 out of 4 in the Endo/Exocellulase 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 From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3002 b:27.7 occ:1.00 O A:ASP571 2.2 21.2 1.0 OD1 A:ASN574 2.3 28.6 1.0 OD1 A:ASP575 2.4 33.4 1.0 O A:THR504 2.4 19.9 1.0 O A:HOH1091 2.4 22.0 1.0 OD2 A:ASP506 2.5 18.6 1.0 OD1 A:ASP506 2.7 39.3 1.0 CG A:ASP506 2.9 28.8 1.0 C A:ASP571 3.3 24.6 1.0 CG A:ASP575 3.4 32.7 1.0 CG A:ASN574 3.4 28.8 1.0 C A:THR504 3.5 22.6 1.0 OD2 A:ASP575 3.7 23.7 1.0 ND2 A:ASN574 3.9 44.0 1.0 N A:THR504 4.1 35.8 1.0 CA A:ASP571 4.2 28.2 1.0 CA A:THR504 4.2 35.8 1.0 N A:ASP571 4.2 26.8 1.0 N A:PRO572 4.3 21.4 1.0 CB A:THR504 4.3 31.7 1.0 CB A:ASP571 4.4 21.3 1.0 CA A:PRO572 4.4 25.9 1.0 CB A:ASP506 4.4 35.6 1.0 N A:ASP575 4.5 26.5 1.0 O A:HOH1511 4.5 49.7 1.0 N A:ASP506 4.5 31.7 1.0 C A:ASN574 4.6 27.4 1.0 N A:LEU505 4.6 33.7 1.0 CB A:ASP575 4.6 26.3 1.0 C A:LEU505 4.7 35.3 1.0 N A:ASN574 4.7 18.3 1.0 CB A:ASN574 4.7 18.9 1.0 C A:PRO572 4.8 23.9 1.0 CA A:ASP575 4.8 28.0 1.0 CA A:ASN574 4.9 20.1 1.0 CA A:ASP506 4.9 33.2 1.0 CG2 A:THR504 4.9 32.3 1.0 O A:ASN574 4.9 32.9 1.0 CA A:LEU505 4.9 24.7 1.0

Calcium binding site 3 out of 4 in the Endo/Exocellulase 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 From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3003 b:9.1 occ:1.00 O B:HOH1128 2.1 26.1 1.0 OG B:SER210 2.3 41.7 1.0 OE1 B:GLU215 2.3 25.1 1.0 OD2 B:ASP214 2.3 37.8 1.0 O B:GLY211 2.4 24.5 1.0 O B:ASP261 2.4 33.4 1.0 OD1 B:ASP214 2.4 22.3 1.0 OE2 B:GLU215 2.4 28.2 1.0 CG B:ASP214 2.7 25.7 1.0 CD B:GLU215 2.7 20.2 1.0 C B:GLY211 3.6 40.9 1.0 CB B:SER210 3.6 21.3 1.0 C B:ASP261 3.6 25.8 1.0 N B:GLY211 4.0 30.3 1.0 C B:SER210 4.1 21.6 1.0 OD1 B:ASP261 4.2 36.1 1.0 CB B:ASP214 4.2 24.3 1.0 CG B:GLU215 4.2 20.8 1.0 CA B:ASP262 4.3 15.5 1.0 CA B:SER210 4.4 28.1 1.0 N B:ASP262 4.4 27.6 1.0 CA B:GLY211 4.4 25.1 1.0 N B:TYR212 4.5 24.9 1.0 CA B:TYR212 4.5 25.2 1.0 N B:GLU215 4.6 23.8 1.0 CA B:ASP261 4.6 29.1 1.0 O B:SER210 4.6 38.8 1.0 OG B:SER208 4.6 31.4 1.0 O B:HOH1411 4.7 44.6 1.0 CG B:ASP261 4.7 36.3 1.0 CZ B:PHE64 4.7 20.7 1.0 N B:ASP214 4.8 23.1 1.0 N B:SER210 4.8 38.1 1.0 NZ B:LYS263 4.9 25.0 1.0 C B:TYR212 4.9 29.5 1.0 CA B:ASP214 4.9 21.3 1.0 CD B:LYS263 4.9 28.3 1.0 N B:LYS263 5.0 23.2 1.0 CB B:ASP151 5.0 18.0 1.0

Calcium binding site 4 out of 4 in the Endo/Exocellulase 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 From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca3004 b:17.2 occ:1.00 O B:ASP571 2.2 17.5 1.0 OD1 B:ASN574 2.3 22.1 1.0 O B:HOH1049 2.4 18.2 1.0 O B:THR504 2.4 9.6 1.0 OD2 B:ASP506 2.5 21.8 1.0 OD1 B:ASP506 2.5 15.2 1.0 OD1 B:ASP575 2.5 18.5 1.0 CG B:ASP506 2.8 20.9 1.0 C B:ASP571 3.3 20.2 1.0 CG B:ASN574 3.4 21.9 1.0 CG B:ASP575 3.5 15.5 1.0 C B:THR504 3.6 11.8 1.0 OD2 B:ASP575 3.9 15.2 1.0 ND2 B:ASN574 3.9 17.4 1.0 N B:THR504 4.1 16.8 1.0 CB B:THR504 4.2 17.2 1.0 CA B:THR504 4.2 10.4 1.0 CA B:ASP571 4.2 15.8 1.0 N B:ASP571 4.2 18.5 1.0 CB B:ASP506 4.3 15.9 1.0 N B:PRO572 4.3 13.4 1.0 CB B:ASP571 4.3 14.2 1.0 O B:HOH1216 4.4 33.0 1.0 CA B:PRO572 4.4 18.2 1.0 N B:ASP506 4.5 11.0 1.0 C B:ASN574 4.6 17.8 1.0 N B:ASP575 4.6 19.2 1.0 N B:LEU505 4.7 6.8 1.0 N B:ASN574 4.7 19.0 1.0 CB B:ASN574 4.7 16.5 1.0 C B:LEU505 4.7 12.5 1.0 CB B:ASP575 4.8 15.6 1.0 CG2 B:THR504 4.8 11.1 1.0 CA B:ASP506 4.8 10.3 1.0 C B:PRO572 4.8 19.7 1.0 O B:ASN574 4.8 14.9 1.0 CA B:ASN574 4.9 12.9 1.0 CA B:ASP575 5.0 19.2 1.0 CA B:LEU505 5.0 3.4 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