Calcium in PDB 4v1k: Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1

The structure of Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1, PDB code: 4v1k was solved by I.Venditto, A.Goyal, A.Thompson, L.M.A.Ferreira, C.M.G.A.Fontes, S.Najmudin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.48 / 1.60
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	104.051, 104.051, 104.051, 90.00, 90.00, 90.00
R / Rfree (%)	11.7 / 15.2

The binding sites of Calcium atom in the Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1 (pdb code 4v1k). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1, PDB code: 4v1k:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1627 b:24.5 occ:1.00 O19 A:2PE1625 2.7 34.5 1.0 O16 A:2PE1625 2.7 22.2 1.0 O7 A:2PE1625 2.7 27.0 1.0 O4 A:2PE1625 2.8 30.7 1.0 O13 A:2PE1625 2.8 22.2 1.0 O10 A:2PE1625 2.8 26.2 1.0 O A:HOH2074 2.8 19.9 1.0 O22 A:2PE1625 2.9 42.6 1.0 C6 A:2PE1625 3.5 26.9 1.0 C12 A:2PE1625 3.5 22.8 1.0 C15 A:2PE1625 3.5 21.2 1.0 C14 A:2PE1625 3.6 20.7 1.0 C5 A:2PE1625 3.6 32.0 1.0 C21 A:2PE1625 3.6 38.6 1.0 C8 A:2PE1625 3.6 25.8 1.0 C18 A:2PE1625 3.6 29.7 1.0 C23 A:2PE1625 3.6 43.3 1.0 C17 A:2PE1625 3.6 24.5 1.0 C20 A:2PE1625 3.6 36.4 1.0 C9 A:2PE1625 3.6 28.0 1.0 C11 A:2PE1625 3.7 22.4 1.0 C24 A:2PE1625 3.7 40.8 1.0 C3 A:2PE1625 3.7 42.2 1.0 C2 A:2PE1625 4.3 56.6 1.0 O25 A:2PE1625 4.6 47.6 1.0 OG A:SER555 4.7 16.9 1.0 O A:HOH2076 4.9 30.1 1.0

Calcium binding site 2 out of 3 in the Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1628 b:42.6 occ:1.00 O4 A:P6G1626 2.5 68.3 1.0 O13 A:P6G1626 2.7 55.8 1.0 O16 A:P6G1626 2.8 66.7 1.0 O1 A:P6G1626 3.1 60.5 1.0 O A:HOH2144 3.1 57.5 1.0 O10 A:P6G1626 3.2 66.9 1.0 O A:HOH2143 3.2 54.5 1.0 O7 A:P6G1626 3.2 50.3 1.0 C2 A:P6G1626 3.4 64.9 1.0 C15 A:P6G1626 3.4 56.6 1.0 C9 A:P6G1626 3.4 61.2 1.0 C6 A:P6G1626 3.4 47.9 1.0 C11 A:P6G1626 3.4 63.5 1.0 C3 A:P6G1626 3.5 63.9 1.0 C5 A:P6G1626 3.5 54.1 1.0 C12 A:P6G1626 3.5 60.2 1.0 C14 A:P6G1626 3.6 51.5 1.0 C8 A:P6G1626 3.7 56.6 1.0 C17 A:P6G1626 3.8 62.0 1.0 C18 A:P6G1626 3.9 60.9 1.0 O19 A:P6G1626 4.9 64.2 1.0

Calcium binding site 3 out of 3 in the Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Semet Structure of A Novel Carbohydrate Binding Module From Glycoside Hydrolase Family 9 (CEL9A) From Ruminococcus Flavefaciens Fd-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1629 b:26.0 occ:0.33 O1 A:BGQ1630 2.9 52.4 1.0 O4 A:BGQ1630 3.3 44.5 1.0 O2 A:BGQ1630 3.3 54.5 1.0 C3 A:BGQ1630 3.3 45.3 1.0 C2 A:BGQ1630 3.5 50.5 1.0 C1 A:BGQ1630 3.6 48.0 1.0 C4 A:BGQ1630 3.6 40.8 1.0

I.Venditto, A.S.Luis, M.Rydahl, J.Schuckel, V.O.Fernandes, S.Vidal-Melgosa, P.Bule, A.Goyal, V.M.R.Pires, C.G.Dourado, L.M.A.Ferreira, P.M.Coutinho, B.Henrissat, J.P.Knox, A.Basle, S.Najmudin, H.J.Gilbert, W.G.T.Willats, C.M.G.A.Fontes. Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects An Expansion in Glycan Recognition. Proc.Natl.Acad.Sci.Usa V. 113 7136 2016.
ISSN: ISSN 0027-8424
PubMed: 27298375
DOI: 10.1073/PNAS.1601558113