Calcium in PDB 1js4: Endo/Exocellulase:Cellobiose From Thermomonospora

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

The structure of Endo/Exocellulase:Cellobiose From Thermomonospora, PDB code: 1js4 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 (%)	19.9 / n/a

The binding sites of Calcium atom in the Endo/Exocellulase:Cellobiose From Thermomonospora (pdb code 1js4). 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:Cellobiose From Thermomonospora, PDB code: 1js4:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Endo/Exocellulase:Cellobiose 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:Cellobiose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca6166 b:9.3 occ:1.00 OG A:SER210 2.2 12.9 1.0 O A:ASP261 2.4 14.2 1.0 O A:GLY211 2.4 22.9 1.0 OD1 A:ASP214 2.4 14.9 1.0 OE2 A:GLU215 2.5 17.0 1.0 OD2 A:ASP214 2.5 16.7 1.0 OE1 A:GLU215 2.5 18.4 1.0 CG A:ASP214 2.8 15.5 1.0 CD A:GLU215 2.8 11.8 1.0 CB A:SER210 3.6 18.2 1.0 C A:ASP261 3.6 16.9 1.0 C A:GLY211 3.6 22.8 1.0 N A:GLY211 4.0 22.9 1.0 C A:SER210 4.1 23.9 1.0 CB A:ASP214 4.3 15.9 1.0 CA A:ASP262 4.3 12.8 1.0 CG A:GLU215 4.3 9.3 1.0 CA A:SER210 4.3 20.3 1.0 OD1 A:ASP261 4.4 23.4 1.0 N A:ASP262 4.4 18.1 1.0 CG A:ASP261 4.5 17.7 1.0 CA A:GLY211 4.5 19.1 1.0 N A:TYR212 4.5 14.7 1.0 OD2 A:ASP261 4.6 16.6 1.0 CA A:TYR212 4.6 11.4 1.0 CA A:ASP261 4.6 13.7 1.0 O A:SER210 4.6 32.7 1.0 CZ A:PHE64 4.7 10.1 1.0 O A:HOH4901 4.7 46.1 1.0 N A:SER210 4.7 17.9 1.0 N A:GLU215 4.7 16.1 1.0 OG A:SER208 4.9 14.6 1.0 CD A:LYS263 4.9 23.1 1.0 NZ A:LYS263 4.9 22.2 1.0 N A:ASP214 4.9 17.5 1.0 N A:LYS263 5.0 19.4 1.0

Calcium binding site 2 out of 4 in the Endo/Exocellulase:Cellobiose 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:Cellobiose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca6168 b:26.7 occ:1.00 OD1 A:ASN574 2.2 25.0 1.0 O A:ASP571 2.2 19.3 1.0 O A:THR504 2.4 23.4 1.0 O A:HOH4608 2.5 14.0 1.0 OD2 A:ASP506 2.5 23.4 1.0 OD1 A:ASP506 2.5 29.1 1.0 OD1 A:ASP575 2.5 30.8 1.0 CG A:ASP506 2.8 26.3 1.0 CG A:ASN574 3.3 26.5 1.0 C A:ASP571 3.3 19.0 1.0 C A:THR504 3.5 23.6 1.0 CG A:ASP575 3.5 29.1 1.0 ND2 A:ASN574 3.7 33.2 1.0 OD2 A:ASP575 3.9 22.9 1.0 N A:THR504 4.1 23.5 1.0 CA A:THR504 4.2 25.7 1.0 CA A:ASP571 4.2 19.5 1.0 CB A:THR504 4.2 26.4 1.0 N A:ASP571 4.2 18.6 1.0 CB A:ASP506 4.3 28.6 1.0 N A:PRO572 4.3 18.7 1.0 CB A:ASP571 4.3 17.5 1.0 CA A:PRO572 4.4 21.9 1.0 N A:ASP506 4.5 30.4 1.0 C A:ASN574 4.5 23.8 1.0 O A:HOH5170 4.6 40.6 1.0 N A:ASP575 4.6 21.7 1.0 CB A:ASN574 4.6 19.7 1.0 C A:LEU505 4.6 32.1 1.0 N A:LEU505 4.6 27.6 1.0 N A:ASN574 4.6 19.6 1.0 O A:ASN574 4.8 24.8 1.0 CB A:ASP575 4.8 24.5 1.0 CA A:ASP506 4.8 32.5 1.0 CG2 A:THR504 4.8 22.4 1.0 CA A:ASN574 4.8 20.3 1.0 C A:PRO572 4.9 22.7 1.0 CA A:LEU505 4.9 25.7 1.0 CA A:ASP575 4.9 25.1 1.0 O A:LEU505 5.0 32.2 1.0 CG A:ASP571 5.0 27.1 1.0

Calcium binding site 3 out of 4 in the Endo/Exocellulase:Cellobiose 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:Cellobiose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca7166 b:12.9 occ:1.00 O B:HOH3167 2.2 20.9 1.0 OD1 B:ASP214 2.3 24.5 1.0 OE1 B:GLU215 2.3 17.9 1.0 O B:GLY211 2.3 23.5 1.0 OG B:SER210 2.3 28.9 1.0 OD2 B:ASP214 2.4 25.8 1.0 OE2 B:GLU215 2.5 18.6 1.0 O B:ASP261 2.5 28.1 1.0 CG B:ASP214 2.7 23.7 1.0 CD B:GLU215 2.7 15.4 1.0 C B:GLY211 3.5 29.2 1.0 CB B:SER210 3.6 25.6 1.0 C B:ASP261 3.7 21.3 1.0 N B:GLY211 4.1 23.5 1.0 C B:SER210 4.2 24.5 1.0 CB B:ASP214 4.2 23.4 1.0 CG B:GLU215 4.2 14.0 1.0 CA B:ASP262 4.4 21.3 1.0 CA B:SER210 4.4 22.9 1.0 N B:TYR212 4.4 22.4 1.0 CA B:TYR212 4.4 19.5 1.0 CA B:GLY211 4.5 24.2 1.0 O B:HOH4006 4.5 56.8 1.0 N B:ASP262 4.5 21.9 1.0 OD1 B:ASP261 4.5 27.9 1.0 N B:GLU215 4.6 13.9 1.0 CG B:ASP261 4.6 26.8 1.0 O B:SER210 4.6 27.8 1.0 OD2 B:ASP261 4.7 23.0 1.0 CA B:ASP261 4.7 18.2 1.0 N B:ASP214 4.8 20.2 1.0 CZ B:PHE64 4.8 20.0 1.0 C B:TYR212 4.8 23.5 1.0 N B:SER210 4.8 29.0 1.0 CD B:LYS263 4.9 31.6 1.0 OG B:SER208 4.9 28.9 1.0 CA B:ASP214 4.9 21.7 1.0 NZ B:LYS263 4.9 25.3 1.0 N B:LYS263 5.0 20.8 1.0

Calcium binding site 4 out of 4 in the Endo/Exocellulase:Cellobiose 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:Cellobiose From Thermomonospora within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca7168 b:13.4 occ:1.00 O B:ASP571 2.2 16.9 1.0 OD1 B:ASN574 2.3 13.1 1.0 O B:HOH4609 2.4 15.0 1.0 OD1 B:ASP575 2.4 15.5 1.0 OD2 B:ASP506 2.5 14.9 1.0 OD1 B:ASP506 2.5 7.6 1.0 O B:THR504 2.5 7.0 1.0 CG B:ASP506 2.8 16.9 1.0 C B:ASP571 3.3 14.1 1.0 CG B:ASP575 3.4 19.1 1.0 CG B:ASN574 3.4 12.2 1.0 C B:THR504 3.6 7.8 1.0 OD2 B:ASP575 3.7 11.2 1.0 ND2 B:ASN574 3.9 15.5 1.0 CA B:ASP571 4.1 10.4 1.0 N B:ASP571 4.1 19.0 1.0 N B:THR504 4.2 15.5 1.0 N B:PRO572 4.2 11.6 1.0 CA B:THR504 4.2 9.8 1.0 CB B:THR504 4.2 6.5 1.0 CB B:ASP506 4.3 11.6 1.0 CB B:ASP571 4.3 9.6 1.0 CA B:PRO572 4.4 9.4 1.0 N B:ASP506 4.6 9.8 1.0 N B:ASP575 4.6 18.2 1.0 C B:ASN574 4.6 12.8 1.0 O B:HOH4073 4.6 17.1 1.0 CB B:ASP575 4.7 13.3 1.0 N B:ASN574 4.7 13.3 1.0 CB B:ASN574 4.7 8.8 1.0 N B:LEU505 4.7 13.1 1.0 C B:LEU505 4.8 11.0 1.0 C B:PRO572 4.8 15.4 1.0 CG2 B:THR504 4.8 2.0 1.0 CA B:ASP506 4.9 13.2 1.0 CA B:ASN574 4.9 11.6 1.0 CA B:ASP575 4.9 17.5 1.0 O B:ASN574 4.9 9.0 1.0 CG B:ASP571 5.0 11.0 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