Calcium in PDB 3hr9: The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant

All present enzymatic activity of The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant:
3.2.1.73;

The structure of The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant, PDB code: 3hr9 was solved by L.C.Tsai, H.C.Huang, C.H.Hsiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.77 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.300, 68.030, 70.460, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.9

The binding sites of Calcium atom in the The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant (pdb code 3hr9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant, PDB code: 3hr9:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:18.7 occ:1.00 O A:GLY222 2.3 24.5 1.0 O A:ASN189 2.3 17.6 1.0 O A:HOH497 2.3 22.1 1.0 OD1 A:ASN164 2.4 22.7 1.0 O A:HOH600 2.4 23.6 1.0 O A:ASN164 2.4 16.2 1.0 O A:HOH444 2.5 23.0 1.0 C A:GLY222 3.4 24.9 1.0 C A:ASN189 3.4 17.8 1.0 C A:ASN164 3.5 17.1 1.0 CG A:ASN164 3.5 20.7 1.0 CA A:ASN164 4.0 17.1 1.0 CA A:GLY222 4.0 25.6 1.0 CA A:ASN189 4.1 18.8 1.0 CB A:ASN189 4.3 21.4 1.0 CB A:ASN164 4.3 17.8 1.0 O A:HOH560 4.4 40.1 1.0 ND2 A:ASN164 4.4 21.9 1.0 O A:HOH554 4.5 41.0 1.0 N A:PHE190 4.5 18.6 1.0 N A:MET223 4.5 24.0 1.0 N A:TRP165 4.6 15.1 1.0 CB A:PHE190 4.7 18.2 1.0 OD1 A:ASN189 4.8 26.5 1.0 CB A:TRP165 4.8 18.2 1.0 CA A:MET223 4.8 22.5 1.0 OD2 A:ASP191 4.9 25.4 1.0 C A:PHE190 4.9 20.4 1.0 O A:HOH515 4.9 38.5 1.0 CA A:PHE190 4.9 18.0 1.0 CA A:TRP165 5.0 15.5 1.0

Calcium binding site 2 out of 3 in the The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:23.2 occ:1.00 O A:HOH529 2.3 25.8 1.0 O A:PHE152 2.3 19.8 1.0 OE2 A:GLU154 2.5 19.2 1.0 O A:HOH428 2.5 21.8 1.0 O A:HOH435 2.5 30.9 1.0 OE1 A:GLU154 2.6 22.9 1.0 CD A:GLU154 2.9 19.1 1.0 C A:PHE152 3.5 21.1 1.0 CA A:PHE152 4.2 20.2 1.0 CB A:PHE152 4.3 20.3 1.0 N A:PHE152 4.4 20.8 1.0 CG A:GLU154 4.4 18.8 1.0 O A:HOH615 4.4 35.4 1.0 O A:HOH499 4.5 35.1 1.0 O A:HOH530 4.5 26.2 1.0 N A:ASP153 4.6 21.5 1.0 N A:GLU154 4.6 21.5 1.0 CA A:ASP153 4.7 21.5 1.0

Calcium binding site 3 out of 3 in the The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D- Glucanase F40I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca403 b:31.0 occ:1.00 O A:LYS200 2.3 18.3 1.0 OD1 A:ASP202 2.3 30.4 1.0 O A:HOH620 2.4 41.4 1.0 O A:HOH461 2.4 28.9 1.0 O A:HOH621 2.4 37.7 1.0 O A:HOH517 2.8 28.4 1.0 C A:LYS200 3.5 18.2 1.0 CG A:ASP202 3.5 28.3 1.0 CB A:ASP202 4.2 26.1 1.0 N A:LYS200 4.2 18.2 1.0 N A:ASP202 4.3 21.9 1.0 CA A:LYS200 4.3 18.5 1.0 C A:GLY201 4.4 20.6 1.0 CB A:LYS200 4.4 17.4 1.0 N A:GLY201 4.4 17.8 1.0 CA A:GLY201 4.5 20.6 1.0 OD2 A:ASP202 4.5 29.4 1.0 OH A:TYR13 4.7 22.8 1.0 O A:HOH623 4.8 38.3 1.0 O A:GLY201 4.8 21.3 1.0 CA A:ASP202 4.9 23.9 1.0 OD1 A:ASP214 4.9 29.9 1.0 CB A:ASP214 4.9 26.4 1.0

L.C.Tsai, H.C.Huang, C.Je-Hsin, S.Lie-Fen. The Truncated Fibrobacter Succinogenes 1,3-1,4-Beta-D-Glucanase Mutant F40I To Be Published.