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Chlorine in PDB 4y76: Factor Xa Complex with GTC000401

Enzymatic activity of Factor Xa Complex with GTC000401

All present enzymatic activity of Factor Xa Complex with GTC000401:
3.4.21.6;

Protein crystallography data

The structure of Factor Xa Complex with GTC000401, PDB code: 4y76 was solved by M.A.Convery, R.J.Young, S.Senger, J.N.Hamblin, C.Chan, J.R.Toomey, N.S.Watson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.50 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.648, 72.805, 80.021, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23.6

Other elements in 4y76:

The structure of Factor Xa Complex with GTC000401 also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Factor Xa Complex with GTC000401 (pdb code 4y76). 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 Complex with GTC000401, PDB code: 4y76:

Chlorine binding site 1 out of 1 in 4y76

Go back to Chlorine Binding Sites List in 4y76
Chlorine binding site 1 out of 1 in the Factor Xa Complex with GTC000401


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor Xa Complex with GTC000401 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:30.6
occ:1.00
CL A:4O1302 0.0 30.6 1.0
C13 A:4O1302 1.8 36.0 1.0
C12 A:4O1302 2.7 35.7 1.0
C14 A:4O1302 2.7 32.7 1.0
CZ A:TYR228 3.5 27.9 1.0
CA A:GLY226 3.5 31.1 1.0
CE1 A:TYR228 3.6 25.3 1.0
N A:ILE227 3.6 22.0 1.0
O A:ILE227 3.7 24.4 1.0
OH A:TYR228 3.8 25.1 1.0
O A:TRP215 3.8 25.6 1.0
C A:GLY226 3.8 27.6 1.0
CB A:ALA190 3.9 26.7 1.0
CE2 A:TYR228 4.0 24.3 1.0
C15 A:4O1302 4.0 34.1 1.0
C11 A:4O1302 4.0 37.0 1.0
CG1 A:VAL213 4.1 24.7 1.0
CD1 A:TYR228 4.2 25.4 1.0
C A:ILE227 4.2 24.7 1.0
O A:HOH468 4.4 27.4 1.0
CD2 A:TYR228 4.5 21.4 1.0
N A:SER214 4.5 25.8 1.0
C16 A:4O1302 4.5 36.2 1.0
CG A:TYR228 4.6 24.8 1.0
CA A:ILE227 4.6 24.6 1.0
C A:TRP215 4.6 30.9 1.0
N A:TRP215 4.6 25.4 1.0
OD1 A:ASP189 4.6 31.9 1.0
O A:GLY226 4.7 28.6 1.0
CA A:VAL213 4.8 25.5 1.0
CB A:VAL213 4.9 24.2 1.0
N A:GLY226 4.9 32.2 1.0

Reference:

C.Chan, A.D.Borthwick, D.Brown, C.L.Burns-Kurtis, M.Campbell, L.Chaudry, C.W.Chung, M.A.Convery, J.N.Hamblin, L.Johnstone, H.A.Kelly, S.Kleanthous, A.Patikis, C.Patel, A.J.Pateman, S.Senger, G.P.Shah, J.R.Toomey, N.S.Watson, H.E.Weston, C.Whitworth, R.J.Young, P.Zhou. Factor Xa Inhibitors: S1 Binding Interactions of A Series of N-{(3S)-1-[(1S) -1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl} Sulfonamides. J. Med. Chem. V. 50 1546 2007.
ISSN: ISSN 0022-2623
PubMed: 17338508
DOI: 10.1021/JM060870C
Page generated: Sat Dec 12 11:22:32 2020

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