Calcium in PDB 4ncy: In Situ Trypsin Crystallized on A Mitegen Micromesh with Imidazole Ligand

All present enzymatic activity of In Situ Trypsin Crystallized on A Mitegen Micromesh with Imidazole Ligand:
3.4.21.4;

The structure of In Situ Trypsin Crystallized on A Mitegen Micromesh with Imidazole Ligand, PDB code: 4ncy was solved by X.Yin, A.Scalia, L.Leroy, C.M.Cuttitta, G.M.Polizzo, D.L.Ericson, C.G.Roessler, O.Campos, R.Agarwal, M.Allaire, A.M.Orville, R.Jackimowicz, M.Y.Ma, R.M.Sweet, A.S.Soares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.77 / 1.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.392, 58.186, 66.430, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 13.8

The binding sites of Calcium atom in the In Situ Trypsin Crystallized on A Mitegen Micromesh with Imidazole Ligand (pdb code 4ncy). 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 In Situ Trypsin Crystallized on A Mitegen Micromesh with Imidazole Ligand, PDB code: 4ncy:

Calcium binding site 1 out of 1 in the In Situ Trypsin Crystallized on A Mitegen Micromesh with Imidazole Ligand


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of In Situ Trypsin Crystallized on A Mitegen Micromesh with Imidazole Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:6.5 occ:1.00 OE1 A:GLU52 2.2 7.6 1.0 O A:VAL57 2.3 7.2 1.0 O A:ASN54 2.3 6.0 1.0 OE2 A:GLU62 2.3 6.3 1.0 O A:HOH402 2.4 7.1 1.0 O A:HOH410 2.4 8.1 1.0 CD A:GLU52 3.3 6.9 1.0 CD A:GLU62 3.4 7.3 1.0 C A:VAL57 3.4 6.8 1.0 C A:ASN54 3.5 6.5 1.0 CG A:GLU62 3.8 7.3 1.0 OE2 A:GLU52 3.8 7.8 1.0 CA A:VAL58 4.1 7.4 1.0 N A:VAL58 4.2 7.2 1.0 N A:GLU59 4.2 7.1 1.0 N A:VAL57 4.2 6.2 1.0 CA A:ILE55 4.2 6.0 1.0 OE1 A:GLU59 4.3 8.8 1.0 N A:ILE55 4.3 5.8 1.0 N A:ASN54 4.4 6.3 1.0 CA A:VAL57 4.4 6.8 1.0 O A:HOH425 4.5 7.8 1.0 CA A:ASN54 4.5 6.4 1.0 CG A:GLU59 4.5 9.1 1.0 OE1 A:GLU62 4.5 7.4 1.0 C A:ILE55 4.5 5.8 1.0 N A:ASP53 4.6 6.5 1.0 C A:VAL58 4.6 8.6 1.0 CG A:GLU52 4.6 6.8 1.0 CA A:GLU52 4.7 5.8 1.0 CD A:GLU59 4.8 10.3 1.0 CB A:GLU59 4.8 8.6 1.0 CB A:GLU52 4.8 6.3 1.0 CB A:ASN54 4.8 6.5 1.0 O1 A:EDO303 4.9 14.2 1.0 N A:ASN56 4.9 6.2 0.5 N A:ASN56 4.9 4.9 0.5 O A:ILE55 4.9 6.5 1.0 C A:ASP53 5.0 6.6 1.0

X.Yin, A.Scalia, L.Leroy, C.M.Cuttitta, G.M.Polizzo, D.L.Ericson, C.G.Roessler, O.Campos, M.Y.Ma, R.Agarwal, R.Jackimowicz, M.Allaire, A.M.Orville, R.M.Sweet, A.S.Soares. Hitting the Target: Fragment Screening with Acoustic in Situ Co-Crystallization of Proteins Plus Fragment Libraries on Pin-Mounted Data-Collection Micromeshes. Acta Crystallogr.,Sect.D V. 70 1177 2014.
ISSN: ISSN 0907-4449
PubMed: 24816088
DOI: 10.1107/S1399004713034603