Calcium in PDB 4z2a: Crystal Structure of Unglycosylated Apo Human Furin @1.89A

All present enzymatic activity of Crystal Structure of Unglycosylated Apo Human Furin @1.89A:
3.4.21.75;

The structure of Crystal Structure of Unglycosylated Apo Human Furin @1.89A, PDB code: 4z2a was solved by R.T.Gampe, K.Pearce, R.Reid, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.58 / 1.89
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.983, 66.597, 88.443, 90.00, 122.41, 90.00
R / Rfree (%)	14.8 / 18.3

The binding sites of Calcium atom in the Crystal Structure of Unglycosylated Apo Human Furin @1.89A (pdb code 4z2a). 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 Unglycosylated Apo Human Furin @1.89A, PDB code: 4z2a:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Unglycosylated Apo Human Furin @1.89A


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 Unglycosylated Apo Human Furin @1.89A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca601 b:16.3 occ:1.00 OD2 A:ASP115 2.2 15.0 1.0 O A:VAL210 2.3 14.7 1.0 OD1 A:ASP162 2.3 16.7 1.0 O A:VAL205 2.3 16.3 1.0 O A:GLY212 2.4 14.2 1.0 OD1 A:ASN208 2.5 17.3 1.0 OD2 A:ASP162 2.6 17.4 1.0 CG A:ASP162 2.8 15.8 1.0 CG A:ASP115 3.4 17.6 1.0 C A:VAL210 3.5 15.4 1.0 C A:VAL205 3.5 16.2 1.0 CG A:ASN208 3.5 17.9 1.0 C A:GLY212 3.6 16.8 1.0 ND2 A:ASN208 3.9 17.5 1.0 CB A:ASP115 4.1 17.2 1.0 N A:GLY212 4.2 16.1 1.0 CA A:VAL210 4.2 17.2 1.0 N A:VAL210 4.2 16.8 1.0 CB A:VAL210 4.2 16.5 1.0 C A:CYS211 4.3 17.6 1.0 CB A:ASP162 4.3 13.0 1.0 OD1 A:ASP115 4.3 19.3 1.0 N A:ALA206 4.4 15.0 1.0 CA A:ALA206 4.4 16.3 1.0 CA A:GLY212 4.4 14.9 1.0 CA A:VAL205 4.5 13.9 1.0 N A:CYS211 4.5 18.7 1.0 N A:VAL205 4.5 17.6 1.0 N A:VAL213 4.6 16.4 1.0 O A:CYS211 4.6 16.5 1.0 CG1 A:VAL213 4.7 16.3 1.0 C A:ALA206 4.7 19.1 1.0 O A:HOH855 4.7 14.4 1.0 CA A:VAL213 4.7 16.3 1.0 CB A:CYS211 4.7 16.4 0.2 CB A:VAL205 4.7 19.0 1.0 CA A:CYS211 4.7 18.1 0.2 N A:ASN208 4.8 16.8 1.0 N A:ASN207 4.8 19.0 1.0 CA A:CYS211 4.8 18.3 0.8 CG1 A:VAL210 4.8 18.1 1.0 CB A:ASN208 4.8 17.5 1.0 CB A:CYS211 5.0 16.0 0.8 C A:ALA204 5.0 14.7 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Unglycosylated Apo Human Furin @1.89A


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 Unglycosylated Apo Human Furin @1.89A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca602 b:18.2 occ:0.83 O A:HOH864 2.3 32.2 1.0 O A:ASP181 2.3 16.9 1.0 O A:HOH1047 2.3 24.1 1.0 OD2 A:ASP174 2.4 20.3 1.0 O A:HOH745 2.4 23.6 1.0 OD2 A:ASP179 2.6 26.6 1.0 OD1 A:ASP179 2.7 29.6 1.0 CG A:ASP179 3.0 24.5 1.0 CG A:ASP174 3.3 19.6 1.0 C A:ASP181 3.4 18.7 1.0 CB A:ASP174 3.5 20.8 1.0 CB A:ASP181 4.0 23.0 1.0 CA A:ASP181 4.1 20.2 1.0 N A:ASP181 4.3 23.3 1.0 OD2 A:ASP177 4.5 23.8 1.0 OD1 A:ASP174 4.5 17.4 1.0 CB A:ASP179 4.6 29.0 1.0 N A:PRO182 4.6 19.2 1.0 CG A:ASP181 4.6 25.3 1.0 CB A:ASP177 4.6 19.1 1.0 NH1 A:ARG225 4.7 22.6 1.0 N A:GLN183 4.7 19.0 1.0 O A:GLN183 4.8 18.8 1.0 CA A:PRO182 4.8 16.6 1.0 OD1 A:ASP181 4.9 23.4 1.0 O A:ASP179 4.9 23.8 1.0 CG A:ASP177 5.0 22.2 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Unglycosylated Apo Human Furin @1.89A


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 Unglycosylated Apo Human Furin @1.89A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca603 b:11.1 occ:0.60 O A:THR314 2.4 10.3 1.0 O A:THR309 2.4 12.7 1.0 O A:SER311 2.5 10.7 1.0 OG1 A:THR314 2.5 11.3 1.0 O A:HOH788 2.6 11.3 1.0 OG A:SER316 2.6 11.9 1.0 C A:THR314 3.2 8.9 1.0 C A:THR309 3.5 10.0 1.0 CB A:THR314 3.5 11.3 1.0 CB A:SER316 3.6 10.6 1.0 O A:HOH974 3.6 14.2 1.0 C A:SER311 3.6 11.3 1.0 CA A:THR314 3.7 8.9 1.0 N A:SER311 3.9 14.1 1.0 N A:SER316 4.0 10.8 1.0 N A:THR314 4.0 9.7 1.0 N A:LEU315 4.2 8.5 1.0 CE A:MET534 4.2 9.4 1.0 CA A:THR309 4.3 11.9 1.0 CA A:SER311 4.3 12.8 1.0 C A:ASN310 4.3 13.7 1.0 O A:SER335 4.3 10.1 1.0 CA A:SER316 4.4 10.7 1.0 O A:TYR308 4.4 12.6 1.0 N A:ASN310 4.4 12.1 1.0 CA A:LEU315 4.6 11.1 1.0 C A:LEU315 4.6 10.2 1.0 CA A:ASN310 4.6 11.1 1.0 CB A:SER311 4.7 12.7 1.0 N A:ILE312 4.7 13.3 1.0 OG1 A:THR309 4.7 12.3 1.0 CG2 A:THR314 4.8 11.8 1.0 O A:ASN310 4.8 16.2 1.0 CA A:ILE312 4.9 10.8 1.0 C A:ILE312 4.9 10.7 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Unglycosylated Apo Human Furin @1.89A


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 Unglycosylated Apo Human Furin @1.89A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca604 b:10.0 occ:1.00 OD1 A:ASP258 2.3 12.1 1.0 OD2 A:ASP301 2.3 10.9 1.0 O A:HOH777 2.4 11.1 1.0 O A:HOH925 2.4 10.0 1.0 OE2 A:GLU331 2.4 10.0 1.0 O A:HOH1001 2.5 10.3 1.0 OE1 A:GLU331 2.5 9.9 1.0 CD A:GLU331 2.8 11.4 1.0 CG A:ASP301 3.2 12.2 1.0 CG A:ASP258 3.4 13.9 1.0 OD1 A:ASP301 3.9 10.3 1.0 CB A:ASP258 4.0 11.7 1.0 CA A:ASP258 4.1 12.0 1.0 CB A:ASP301 4.1 11.0 1.0 O A:HOH994 4.3 27.9 1.0 OD2 A:ASP258 4.3 10.3 1.0 CG A:GLU331 4.3 10.6 1.0 O A:HOH873 4.3 11.0 1.0 OD2 A:ASP306 4.4 15.0 1.0 CB A:ASP306 4.5 11.3 1.0 CA A:GLY294 4.5 12.9 1.0 O A:HOH963 4.5 12.5 1.0 O A:SER293 4.5 10.0 1.0 O A:PRO256 4.7 14.2 1.0 CA A:CYS303 4.8 13.9 1.0 N A:ASP258 4.8 11.5 1.0 N A:GLY296 4.9 11.8 1.0 O A:GLU257 4.9 11.4 1.0 CG A:ASP306 5.0 15.0 1.0 CB A:CYS303 5.0 12.9 1.0

K.H.Pearce, L.K.Overton, R.T.Grampe, G.B.Barret, J.D.Taylor, D.D.Mckee, N.Campobassom, R.T.Nolte, R.A.Reid. Bacmam Production and Crystal Structure of Nonglycosylated Apo Human Furin at 1.89A Resolution Acta Crystallogr.,Sect.F 2019.
ISSN: ESSN 2053-230X
DOI: S2053230X1900178X