Calcium in PDB 6a8x: Crystal Structure of A Apo Form Cyclase From Fischerella Sp.

The structure of Crystal Structure of A Apo Form Cyclase From Fischerella Sp., PDB code: 6a8x was solved by X.Y.Hu, W.D.Liu, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.85 / 2.35
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	90.993, 90.993, 234.496, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23.3

The binding sites of Calcium atom in the Crystal Structure of A Apo Form Cyclase From Fischerella Sp. (pdb code 6a8x). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of A Apo Form Cyclase From Fischerella Sp., PDB code: 6a8x:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of A Apo Form Cyclase From Fischerella Sp.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A Apo Form Cyclase From Fischerella Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:44.4 occ:1.00 OE1 A:GLU96 2.0 39.9 1.0 O A:ASN99 2.1 41.9 1.0 O A:GLU96 2.2 42.0 1.0 O A:GLY38 2.2 40.3 1.0 OE2 A:GLU40 2.4 47.7 1.0 OD1 A:ASP217 2.4 44.6 1.0 CG A:ASP217 3.0 40.8 1.0 OD2 A:ASP217 3.1 42.5 1.0 C A:GLU96 3.3 44.4 1.0 C A:ASN99 3.3 55.6 1.0 CD A:GLU96 3.3 50.0 1.0 C A:GLY38 3.3 41.6 1.0 CD A:GLU40 3.5 46.4 1.0 CA A:GLY38 3.7 41.5 1.0 N A:ASN99 3.9 51.5 1.0 CB A:GLU96 3.9 45.0 1.0 CA A:ASN99 4.0 52.0 1.0 CA A:GLU96 4.0 42.4 1.0 CG A:GLU40 4.1 49.6 1.0 OE2 A:GLU96 4.1 48.6 1.0 CG A:GLU96 4.2 42.3 1.0 N A:GLY97 4.2 44.0 1.0 N A:VAL100 4.3 43.3 1.0 CA A:GLY97 4.4 43.0 1.0 N A:GLU96 4.4 43.4 1.0 OE1 A:GLU40 4.4 51.0 1.0 CB A:ASN99 4.4 53.0 1.0 CB A:ASP217 4.5 41.1 1.0 N A:PHE39 4.5 37.4 1.0 N A:ARG98 4.6 47.5 1.0 C A:GLY97 4.7 42.0 1.0 CA A:VAL100 4.7 44.9 1.0 C A:PHE39 4.8 45.7 1.0 CB A:ALA94 4.8 41.8 1.0 N A:ASN218 4.8 38.8 1.0 N A:GLU40 5.0 50.2 1.0 C A:ARG98 5.0 52.4 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of A Apo Form Cyclase From Fischerella Sp.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of A Apo Form Cyclase From Fischerella Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:53.0 occ:1.00 OE2 A:GLU176 1.9 57.5 1.0 O A:SER139 2.2 49.7 1.0 O A:GLY150 2.2 51.7 1.0 OD1 A:ASN138 2.3 47.1 1.0 O A:LEU148 2.3 63.0 1.0 O A:HOH436 2.3 47.3 1.0 CD A:GLU176 2.7 53.6 1.0 OE1 A:GLU176 2.9 57.5 1.0 C A:SER139 3.4 48.2 1.0 CG A:ASN138 3.4 51.5 1.0 C A:GLY150 3.5 49.1 1.0 C A:LEU148 3.5 61.5 1.0 N A:GLY150 3.8 56.2 1.0 C A:ASP149 4.0 54.3 1.0 ND2 A:ASN138 4.0 38.6 1.0 N A:SER139 4.1 46.9 1.0 C A:ASN138 4.1 43.6 1.0 CG A:GLU176 4.2 49.3 1.0 CA A:GLY150 4.2 55.9 1.0 CA A:ASP149 4.3 65.3 1.0 N A:GLY140 4.3 51.2 1.0 CA A:SER139 4.3 52.9 1.0 N A:ASP149 4.3 61.1 1.0 O A:ASN138 4.4 42.3 1.0 CA A:GLY140 4.4 59.8 1.0 N A:PHE151 4.4 51.8 1.0 CA A:LEU148 4.6 67.9 1.0 CB A:LEU148 4.6 61.1 1.0 O A:ASP149 4.6 53.9 1.0 CB A:ASN138 4.6 45.1 1.0 CA A:PHE151 4.6 50.7 1.0 CA A:ASN138 4.6 45.5 1.0 CD2 A:PHE211 4.7 51.0 1.0 OG A:SER139 4.7 63.1 1.0 CB A:PHE151 4.7 54.1 1.0 CD1 A:PHE151 4.8 46.1 1.0 CB A:GLU176 4.8 50.4 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of A Apo Form Cyclase From Fischerella Sp.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of A Apo Form Cyclase From Fischerella Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:42.8 occ:1.00 O B:GLY38 2.1 40.6 1.0 O B:GLU96 2.1 41.8 1.0 OE1 B:GLU96 2.3 42.9 1.0 OD1 B:ASP217 2.3 42.3 1.0 O B:ASN99 2.3 48.6 1.0 OE2 B:GLU40 2.5 41.6 1.0 CG B:ASP217 3.1 41.5 1.0 OD2 B:ASP217 3.2 46.6 1.0 C B:GLY38 3.2 43.9 1.0 C B:GLU96 3.2 44.7 1.0 CD B:GLU96 3.5 43.7 1.0 C B:ASN99 3.5 56.3 1.0 CD B:GLU40 3.5 45.1 1.0 CA B:GLY38 3.7 45.6 1.0 CG B:GLU40 3.9 40.4 1.0 N B:ASN99 4.0 40.6 1.0 CB B:GLU96 4.0 48.2 1.0 CA B:GLU96 4.1 46.0 1.0 N B:GLY97 4.1 44.2 1.0 CA B:ASN99 4.2 44.1 1.0 CA B:GLY97 4.3 42.5 1.0 OE2 B:GLU96 4.3 49.0 1.0 CG B:GLU96 4.3 42.4 1.0 N B:PHE39 4.4 43.6 1.0 N B:GLU96 4.5 43.9 1.0 N B:VAL100 4.5 47.5 1.0 CB B:ASP217 4.5 43.5 1.0 OE1 B:GLU40 4.5 44.8 1.0 N B:ARG98 4.5 42.8 1.0 CB B:ASN99 4.6 49.2 1.0 C B:GLY97 4.6 48.3 1.0 N B:GLU40 4.7 45.0 1.0 C B:PHE39 4.7 50.6 1.0 CA B:VAL100 4.8 44.5 1.0 CB B:ALA94 4.9 36.6 1.0 N B:ASN218 4.9 44.8 1.0 CA B:PHE39 5.0 50.1 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of A Apo Form Cyclase From Fischerella Sp.


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of A Apo Form Cyclase From Fischerella Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:30.0 occ:1.00 OE1 B:GLU176 1.9 56.4 1.0 O B:SER139 2.2 49.6 1.0 O B:GLY150 2.3 47.5 1.0 OD1 B:ASN138 2.3 49.2 1.0 O B:HOH442 2.3 41.0 1.0 O B:LEU148 2.3 61.1 1.0 CD B:GLU176 2.8 45.5 1.0 OE2 B:GLU176 3.0 51.7 1.0 CG B:ASN138 3.4 47.3 1.0 C B:LEU148 3.4 52.8 1.0 C B:SER139 3.4 48.2 1.0 C B:GLY150 3.5 44.0 1.0 N B:GLY150 3.7 48.2 1.0 C B:ASP149 3.9 55.9 1.0 ND2 B:ASN138 4.0 40.9 1.0 N B:SER139 4.1 39.4 1.0 CA B:ASP149 4.1 60.6 1.0 N B:ASP149 4.1 51.3 1.0 C B:ASN138 4.2 34.7 1.0 CG B:GLU176 4.2 42.0 1.0 CA B:GLY150 4.2 47.2 1.0 N B:GLY140 4.3 49.0 1.0 CA B:SER139 4.4 43.7 1.0 CA B:GLY140 4.4 60.2 1.0 O B:ASN138 4.4 38.6 1.0 N B:PHE151 4.5 46.6 1.0 CA B:LEU148 4.5 60.9 1.0 CB B:LEU148 4.5 57.3 1.0 O B:ASP149 4.6 54.0 1.0 CB B:ASN138 4.6 40.1 1.0 CA B:ASN138 4.7 40.2 1.0 CA B:PHE151 4.7 47.6 1.0 OG B:SER139 4.8 46.9 1.0 CB B:PHE151 4.8 46.9 1.0 CB B:GLU176 4.8 49.0 1.0 CD2 B:PHE211 4.9 59.5 1.0 CB B:PHE211 4.9 55.6 1.0

C.C.Chen, X.Hu, X.Tang, Y.Yang, T.P.Ko, J.Gao, Y.Zheng, J.W.Huang, Z.Yu, L.Li, S.Han, N.Cai, Y.Zhang, W.Liu, R.T.Guo. The Crystal Structure of A Class of Cyclases That Catalyze the Cope Rearrangement Angew. Chem. Int. Ed. Engl. V. 57 15060 2018.
ISSN: ESSN 1521-3773
PubMed: 30222239
DOI: 10.1002/ANIE.201808231