Calcium in PDB 1jmj: Crystal Structure of Native Heparin Cofactor II

The structure of Crystal Structure of Native Heparin Cofactor II, PDB code: 1jmj was solved by T.P.Baglin, R.W.Carrell, F.C.Church, J.A.Huntington, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.730, 80.000, 92.240, 90.00, 102.04, 90.00
R / Rfree (%)	20.8 / 25.5

The binding sites of Calcium atom in the Crystal Structure of Native Heparin Cofactor II (pdb code 1jmj). 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 Native Heparin Cofactor II, PDB code: 1jmj:

Calcium binding site 1 out of 1 in the Crystal Structure of Native Heparin Cofactor II


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 Native Heparin Cofactor II within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:44.9 occ:1.00 NE2 A:HIS290 2.5 37.5 1.0 O A:HOH631 2.6 54.3 1.0 ND1 A:HIS292 2.7 29.7 1.0 O A:HOH551 2.8 40.0 1.0 O A:HOH502 3.1 41.2 1.0 CE1 A:HIS292 3.3 29.9 1.0 CE1 A:HIS290 3.4 39.1 1.0 CD2 A:HIS290 3.5 38.1 1.0 O A:HOH632 3.5 67.3 1.0 CG A:HIS292 3.9 30.9 1.0 CD2 A:LEU374 4.0 16.6 1.0 CB A:HIS292 4.4 32.3 1.0 OE1 A:GLN308 4.5 36.5 1.0 ND1 A:HIS290 4.5 38.5 1.0 NE2 A:HIS292 4.6 31.6 1.0 CG A:HIS290 4.6 37.7 1.0 CD2 A:HIS292 4.9 31.7 1.0

T.P.Baglin, R.W.Carrell, F.C.Church, C.T.Esmon, J.A.Huntington. Crystal Structures of Native and Thrombin-Complexed Heparin Cofactor II Reveal A Multistep Allosteric Mechanism. Proc.Natl.Acad.Sci.Usa V. 99 11079 2002.
ISSN: ISSN 0027-8424
PubMed: 12169660
DOI: 10.1073/PNAS.162232399