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Calcium in PDB 1fjs: Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa

Enzymatic activity of Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa

All present enzymatic activity of Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa:
3.4.21.6;

Protein crystallography data

The structure of Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa, PDB code: 1fjs was solved by M.Adler, M.Whitlow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.92
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.770, 71.960, 80.230, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 25.6

Other elements in 1fjs:

The structure of Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa (pdb code 1fjs). 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 the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa, PDB code: 1fjs:

Calcium binding site 1 out of 1 in 1fjs

Go back to Calcium Binding Sites List in 1fjs
Calcium binding site 1 out of 1 in the Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa


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 Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca507

b:29.5
occ:1.00
 O A:HOH612 1.8 31.9 1.0
O A:ASN72 2.2 25.3 1.0
OE2 A:GLU77 2.3 30.1 1.0
OD2 A:ASP70 2.3 21.1 1.0
OE2 A:GLU80 2.4 30.6 1.0
O A:GLN75 2.4 46.1 1.0
C A:ASN72 3.4 26.2 1.0
CD A:GLU77 3.4 36.6 1.0
CG A:ASP70 3.4 22.1 1.0
CD A:GLU80 3.5 30.6 1.0
C A:GLN75 3.7 45.8 1.0
CG A:GLU80 3.9 27.1 1.0
OD1 A:ASP70 3.9 21.8 1.0
CG A:GLU77 4.1 37.8 1.0
N A:ASN72 4.2 22.3 1.0
N A:THR73 4.3 27.0 1.0
CA A:ASN72 4.3 23.2 1.0
OE1 A:GLU77 4.3 37.9 1.0
N A:GLU77 4.3 41.4 1.0
CA A:THR73 4.4 31.3 1.0
CA A:GLU76 4.5 46.2 1.0
C A:THR73 4.5 33.4 1.0
N A:GLU76 4.5 46.7 1.0
OE1 A:GLU80 4.5 30.6 1.0
N A:GLN75 4.6 43.3 1.0
CB A:ASN72 4.6 24.5 1.0
CA A:GLN75 4.7 44.6 1.0
CB A:ASP70 4.7 20.0 1.0
O A:THR73 4.7 34.0 1.0
CB A:GLU77 4.8 38.3 1.0
N A:ARG71 4.8 18.2 1.0
CA A:ASP70 4.9 18.0 1.0
C A:GLU76 4.9 44.1 1.0

Reference:

M.Adler, D.D.Davey, G.B.Phillips, S.H.Kim, J.Jancarik, G.Rumennik, D.R.Light, M.Whitlow. Preparation, Characterization, and the Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa. Biochemistry V. 39 12534 2000.
ISSN: ISSN 0006-2960
PubMed: 11027132
DOI: 10.1021/BI001477Q
Page generated: Sat Dec 12 02:55:42 2020

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