Calcium in PDB 2pwb: Crystal Structure of the Complex of Proteinase K with Coumarin at 1.9 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of Proteinase K with Coumarin at 1.9 A Resolution:
3.4.21.64;

The structure of Crystal Structure of the Complex of Proteinase K with Coumarin at 1.9 A Resolution, PDB code: 2pwb was solved by A.K.Singh, N.Singh, M.Sinha, S.Sharma, P.Kaur, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.74 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.300, 68.300, 108.384, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 17.3

The binding sites of Calcium atom in the Crystal Structure of the Complex of Proteinase K with Coumarin at 1.9 A Resolution (pdb code 2pwb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Complex of Proteinase K with Coumarin at 1.9 A Resolution, PDB code: 2pwb:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Complex of Proteinase K with Coumarin at 1.9 A Resolution


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 the Complex of Proteinase K with Coumarin at 1.9 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca300 b:8.6 occ:1.00 O A:VAL177 2.4 9.2 1.0 O A:PRO175 2.4 9.9 1.0 OD2 A:ASP200 2.4 7.2 1.0 O A:HOH2318 2.4 8.7 1.0 O A:HOH2321 2.5 12.5 1.0 O A:HOH2324 2.5 10.4 1.0 O A:HOH2334 2.7 11.7 1.0 OD1 A:ASP200 2.7 10.3 1.0 CG A:ASP200 2.9 9.2 1.0 C A:PRO175 3.5 9.8 1.0 C A:VAL177 3.6 8.6 1.0 CA A:PRO175 4.1 10.7 1.0 N A:VAL177 4.2 9.3 1.0 O A:VAL198 4.3 11.1 1.0 CB A:ASP200 4.4 8.8 1.0 C A:SER176 4.4 9.4 1.0 CA A:CYS178 4.4 7.4 1.0 N A:CYS178 4.5 7.5 1.0 O A:GLU174 4.5 8.7 1.0 N A:SER176 4.5 8.6 1.0 CA A:VAL177 4.6 8.6 1.0 O A:HOH2294 4.6 35.3 1.0 N A:THR179 4.6 8.5 1.0 O A:HOH2494 4.7 26.8 1.0 CA A:SER176 4.8 9.2 1.0 O A:HOH2397 4.8 36.1 1.0 O A:HOH2523 4.8 27.8 1.0 OG1 A:THR179 4.8 9.1 1.0 O A:HOH2554 4.8 16.5 1.0 SG A:CYS249 5.0 8.7 1.0 O A:SER176 5.0 9.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Complex of Proteinase K with Coumarin at 1.9 A Resolution


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 the Complex of Proteinase K with Coumarin at 1.9 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:16.0 occ:0.50 O A:THR16 2.3 18.9 1.0 OD2 A:ASP260 2.4 25.8 1.0 O A:HOH2543 2.4 35.1 1.0 O A:HOH2378 2.5 30.5 1.0 O A:HOH2531 2.6 37.9 1.0 OD1 A:ASP260 2.6 23.3 1.0 O A:HOH2474 2.7 42.9 1.0 CG A:ASP260 2.8 21.3 1.0 C A:THR16 3.5 17.3 1.0 CB A:ASP260 4.3 17.9 1.0 O A:HOH2455 4.3 37.4 1.0 CA A:THR16 4.3 16.5 1.0 CB A:THR16 4.4 17.1 1.0 ND2 A:ASN257 4.4 10.8 1.0 N A:SER17 4.5 16.9 1.0 CA A:SER17 4.6 17.1 1.0 NH2 A:ARG12 4.7 13.3 1.0 CG A:ASN257 4.7 14.1 1.0 CB A:ASN257 4.9 12.0 1.0

A.K.Singh, N.Singh, M.Sinha, S.Sharma, P.Kaur, T.P.Singh. Crystal Structure of the Complex of Proteinase K with Coumarin at 1.9A Resolution To Be Published.