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Chlorine in PDB 1j17: Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT

Enzymatic activity of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT

All present enzymatic activity of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT:
3.4.21.4;

Protein crystallography data

The structure of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT, PDB code: 1j17 was solved by M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.00
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 124.780, 124.780, 124.780, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / n/a

Other elements in 1j17:

The structure of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT (pdb code 1j17). 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 Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT, PDB code: 1j17:

Chlorine binding site 1 out of 1 in 1j17

Go back to Chlorine Binding Sites List in 1j17
Chlorine binding site 1 out of 1 in the Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99/175/190RT within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Cl1

b:18.9
occ:1.00
 CL32 T:ZEN1 0.0 18.9 1.0
C29 T:ZEN1 1.8 21.5 1.0
C28 T:ZEN1 2.7 19.3 1.0
C30 T:ZEN1 2.8 17.4 1.0
CZ T:TYR228 3.3 10.4 1.0
O T:VAL227 3.4 11.9 1.0
OH T:TYR228 3.5 12.2 1.0
CE2 T:TYR228 3.6 6.9 1.0
N T:VAL227 3.6 10.0 1.0
O T:TRP215 3.6 11.0 1.0
CG1 T:VAL213 3.6 6.0 1.0
CA T:GLY226 3.7 9.2 1.0
CE1 T:TYR228 3.7 8.6 1.0
CB T:ALA190 3.8 6.7 1.0
C T:GLY226 3.9 11.5 1.0
C27 T:ZEN1 4.0 17.9 1.0
C31 T:ZEN1 4.1 17.3 1.0
C T:VAL227 4.1 10.6 1.0
CD2 T:TYR228 4.1 6.9 1.0
N T:SER214 4.2 7.3 1.0
CD1 T:TYR228 4.2 7.2 1.0
N T:TRP215 4.3 11.4 1.0
C T:TRP215 4.3 12.6 1.0
CA T:VAL213 4.4 7.9 1.0
CG T:TYR228 4.5 9.1 1.0
CA T:VAL227 4.5 9.8 1.0
CB T:VAL213 4.5 8.0 1.0
C26 T:ZEN1 4.5 18.9 1.0
OD1 T:ASP189 4.7 13.5 1.0
C T:VAL213 4.7 8.3 1.0
CA T:TRP215 4.8 11.5 1.0
O T:GLY226 4.8 11.0 1.0
O T:HOH267 4.8 10.2 1.0
C T:SER214 4.9 10.6 1.0
CA T:ALA190 4.9 10.5 1.0
CG2 T:VAL213 5.0 7.6 1.0

Reference:

S.Reyda, C.Sohn, G.Klebe, K.Rall, D.Ullmann, H.D.Jakubke, M.T.Stubbs. Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-Induced Structural Plasticity J.Mol.Biol. V. 325 963 2003.
ISSN: ISSN 0022-2836
PubMed: 12527302
DOI: 10.1016/S0022-2836(02)01337-2
Page generated: Thu Jul 10 17:29:32 2025

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