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Chlorine in PDB 1ql9: Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99RT

Enzymatic activity of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99RT

All present enzymatic activity of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99RT:
3.4.21.4;

Protein crystallography data

The structure of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99RT, PDB code: 1ql9 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 / 2.30
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 124.140, 124.140, 124.140, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / n/a

Other elements in 1ql9:

The structure of Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99RT 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 X99RT (pdb code 1ql9). 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 X99RT, PDB code: 1ql9:

Chlorine binding site 1 out of 1 in 1ql9

Go back to Chlorine Binding Sites List in 1ql9
Chlorine binding site 1 out of 1 in the Factor Xa Specific Inhibitor in Complex with Rat Trypsin Mutant X99RT


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 X99RT within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:27.9
occ:1.00
 CL32 A:ZEN999 0.0 27.9 1.0
C29 A:ZEN999 1.7 23.1 1.0
C28 A:ZEN999 2.7 18.5 1.0
C30 A:ZEN999 2.7 18.1 1.0
CZ A:TYR228 3.3 6.5 1.0
O A:VAL227 3.5 10.6 1.0
OH A:TYR228 3.5 12.7 1.0
CE2 A:TYR228 3.5 7.3 1.0
CG1 A:VAL213 3.6 6.0 1.0
CB A:SER190 3.6 6.0 1.0
O A:TRP215 3.7 11.9 1.0
CA A:GLY226 3.7 13.1 1.0
CE1 A:TYR228 3.7 9.1 1.0
N A:VAL227 3.7 11.2 1.0
C A:GLY226 3.9 14.3 1.0
C27 A:ZEN999 4.0 19.2 1.0
C31 A:ZEN999 4.0 13.0 1.0
CD2 A:TYR228 4.1 6.0 1.0
N A:SER214 4.1 6.0 1.0
OG A:SER190 4.1 17.6 1.0
C A:VAL227 4.2 14.0 1.0
CD1 A:TYR228 4.2 6.0 1.0
N A:TRP215 4.2 14.9 1.0
C A:TRP215 4.3 12.9 1.0
CG A:TYR228 4.4 6.0 1.0
CA A:VAL213 4.4 8.8 1.0
C26 A:ZEN999 4.5 16.2 1.0
CB A:VAL213 4.5 9.1 1.0
CA A:VAL227 4.6 13.0 1.0
O A:GLY226 4.7 15.7 1.0
C A:VAL213 4.7 9.2 1.0
CA A:TRP215 4.7 15.8 1.0
OD1 A:ASP189 4.8 11.8 1.0
C A:SER214 4.8 11.1 1.0
CA A:SER190 4.9 13.2 1.0
N A:GLY226 4.9 14.2 1.0
CA A:SER214 5.0 10.7 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: Sat Jul 20 01:37:20 2024

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