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Chlorine 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
Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Inhibitor Zk-807834 (Ci-1031) Complexed with Factor Xa, PDB code: 1fjs:

Chlorine binding site 1 out of 1 in 1fjs

Go back to Chlorine Binding Sites List in 1fjs
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl508

b:17.7
occ:1.00
 NE2 A:HIS83 3.0 12.7 1.0
NH1 A:ARG115 3.2 18.1 1.0
N A:THR113 3.4 11.2 1.0
NH2 A:ARG115 3.6 17.7 1.0
CE1 A:HIS83 3.6 11.4 1.0
CB A:ALA81 3.6 15.4 1.0
CA A:ILE112 3.7 11.8 1.0
CZ A:ARG115 3.9 18.0 1.0
CG2 A:ILE112 3.9 12.1 1.0
O A:THR113 4.0 10.2 1.0
OG1 A:THR113 4.0 16.4 1.0
C A:ILE112 4.1 10.5 1.0
CD2 A:HIS83 4.2 12.8 1.0
CB A:ILE112 4.3 12.8 1.0
CG2 A:VAL68 4.3 12.0 1.0
CA A:THR113 4.4 11.0 1.0
O A:PRO111 4.5 11.9 1.0
CG1 A:ILE112 4.6 9.6 1.0
C A:THR113 4.6 9.4 1.0
CB A:THR113 4.8 13.6 1.0
ND1 A:HIS83 4.8 11.3 1.0
N A:ILE112 4.9 12.9 1.0
O A:HOH614 4.9 26.3 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: Fri Jul 19 21:58:58 2024

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