Calcium in PDB 4ak7: Crystal Structure of BPGH117_E303Q in Complex with Neoagarobiose

The structure of Crystal Structure of BPGH117_E303Q in Complex with Neoagarobiose, PDB code: 4ak7 was solved by J.H.Hehemann, L.Smyth, A.Yadav, D.J.Vocadlo, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.84 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.900, 93.550, 104.960, 90.00, 90.00, 90.00
R / Rfree (%)	15.544 / 20.854

The structure of Crystal Structure of BPGH117_E303Q in Complex with Neoagarobiose also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of BPGH117_E303Q in Complex with Neoagarobiose (pdb code 4ak7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of BPGH117_E303Q in Complex with Neoagarobiose, PDB code: 4ak7:

Calcium binding site 1 out of 1 in the Crystal Structure of BPGH117_E303Q in Complex with Neoagarobiose


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 BPGH117_E303Q in Complex with Neoagarobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1403 b:13.3 occ:1.00 OH A:TYR186 3.1 9.1 1.0 NZ A:LYS242 3.2 7.4 1.0 NE2 A:HIS244 3.2 5.2 1.0 O A:HOH2143 3.2 5.5 1.0 CE A:LYS242 3.6 5.9 1.0 CB A:ASN192 3.7 12.1 1.0 CD A:LYS242 3.8 4.7 1.0 CZ A:TYR186 3.9 9.2 1.0 CE1 A:HIS244 3.9 3.9 1.0 CZ A:PHE164 3.9 11.2 1.0 CG2 A:VAL182 4.0 7.8 1.0 CG A:ASN192 4.1 10.9 1.0 CE1 A:TYR186 4.1 12.2 1.0 OD1 A:ASN192 4.1 8.6 1.0 CD2 A:HIS244 4.2 8.0 1.0 CE2 A:PHE164 4.3 8.9 1.0 NE2 A:GLN180 4.4 5.2 1.0 OAI A:47N1402 4.4 10.4 1.0 CG A:LYS242 4.8 10.3 1.0 O A:HOH2221 4.8 9.8 1.0 CA A:ASN192 4.9 10.9 1.0 ND2 A:ASN192 4.9 8.2 1.0 O A:HOH2279 4.9 13.2 1.0 N A:ASN192 4.9 8.7 1.0 NE1 A:TRP127 4.9 9.2 1.0

J.H.Hehemann, L.Smyth, A.Yadav, D.J.Vocadlo, A.B.Boraston. Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of A Polysaccharide From) Red Seaweeds. J.Biol.Chem. V. 287 13985 2012.
ISSN: ISSN 0021-9258
PubMed: 22393053
DOI: 10.1074/JBC.M112.345645