Calcium in PDB 1bjr: Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K

All present enzymatic activity of Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K:
3.4.21.64;

The structure of Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K, PDB code: 1bjr was solved by T.P.Singh, S.Sharma, S.Karthikeyan, C.Betzel, K.L.Bhatia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.44
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.600, 38.581, 79.220, 90.00, 105.80, 90.00
R / Rfree (%)	16 / 22.5

The binding sites of Calcium atom in the Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K (pdb code 1bjr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K, PDB code: 1bjr:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca290 b:21.9 occ:0.75 O E:ARG12 2.8 10.1 1.0 OD1 E:ASN257 2.8 13.8 1.0 O E:ALA273 3.0 10.5 1.0 O E:SER15 3.3 20.0 1.0 NH1 E:ARG12 3.5 13.7 1.0 CB E:TYR274 3.7 13.2 1.0 CD1 E:TYR274 3.8 13.9 1.0 CD2 E:LEU272 3.8 8.4 1.0 C E:ARG12 3.9 11.7 1.0 CG E:ASN257 3.9 13.7 1.0 C E:ALA273 3.9 11.4 1.0 CA E:TYR274 3.9 12.8 1.0 CG E:LEU272 4.0 10.5 1.0 CG E:TYR274 4.0 13.1 1.0 O E:LEU272 4.1 11.8 1.0 CA E:ILE13 4.2 14.0 1.0 CZ E:ARG12 4.2 13.5 1.0 O E:ILE13 4.3 14.8 1.0 N E:TYR274 4.3 12.7 1.0 CB E:ASN257 4.4 13.3 1.0 C E:ILE13 4.4 14.4 1.0 N E:ILE13 4.4 12.2 1.0 C E:SER15 4.5 20.0 1.0 C E:LEU272 4.6 11.4 1.0 CB E:LEU272 4.7 12.5 1.0 NH2 E:ARG12 4.7 13.2 1.0 CE1 E:TYR274 4.8 14.9 1.0 CG E:ARG12 4.8 10.4 1.0 NE E:ARG12 4.8 14.4 1.0 N E:SER15 4.9 18.3 1.0 CD E:ARG12 5.0 13.2 1.0

Calcium binding site 2 out of 2 in the Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex Formed Between Proteolytically Generated Lactoferrin Fragment and Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca291 b:22.2 occ:1.00 O E:PRO175 2.6 14.2 1.0 O E:VAL177 2.6 13.3 1.0 O E:HOH396 2.7 10.5 1.0 OD1 E:ASP200 2.8 18.3 1.0 O E:HOH433 2.8 33.8 1.0 O E:HOH447 2.8 23.2 1.0 OD2 E:ASP200 2.8 19.5 1.0 O E:HOH363 3.0 25.4 1.0 CG E:ASP200 3.1 17.9 1.0 C E:PRO175 3.6 13.2 1.0 C E:VAL177 3.9 11.8 1.0 N E:VAL177 4.3 10.7 1.0 O E:VAL198 4.3 15.9 1.0 CA E:PRO175 4.3 14.3 1.0 C E:SER176 4.4 11.3 1.0 N E:SER176 4.4 12.7 1.0 O E:GLU174 4.5 15.7 1.0 CA E:CYS178 4.6 11.4 1.0 CA E:SER176 4.6 11.5 1.0 CB E:ASP200 4.6 16.9 1.0 N E:CYS178 4.7 11.8 1.0 N E:THR179 4.7 10.7 1.0 CA E:VAL177 4.8 11.0 1.0 O E:HOH432 4.8 86.3 1.0 OG1 E:THR179 4.9 8.4 1.0 O E:SER176 4.9 11.6 1.0 SG E:CYS249 5.0 12.3 1.0

T.P.Singh, S.Sharma, S.Karthikeyan, C.Betzel, K.L.Bhatia. Crystal Structure of A Complex Formed Between Proteolytically-Generated Lactoferrin Fragment and Proteinase K. Proteins V. 33 30 1998.
ISSN: ISSN 0887-3585
PubMed: 9741842
DOI: 10.1002/(SICI)1097-0134(19981001)33:1<30::AID-PROT3>3.3.CO;2-W