Atomistry » Chlorine » PDB 3u69-3ue4 » 3u8r
Atomistry »
  Chlorine »
    PDB 3u69-3ue4 »
      3u8r »

Chlorine in PDB 3u8r: Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile

Enzymatic activity of Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile

All present enzymatic activity of Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile:
3.4.21.5;

Protein crystallography data

The structure of Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile, PDB code: 3u8r was solved by A.C.Figueiredo, C.C.Clement, M.Philipp, P.J.B.Pereira, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.84 / 1.47
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.563, 76.527, 83.260, 90.00, 90.00, 90.00
R / Rfree (%) 12.9 / 16.1

Other elements in 3u8r:

The structure of Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile also contains other interesting chemical elements:

Iodine (I) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile (pdb code 3u8r). 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 Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile, PDB code: 3u8r:

Chlorine binding site 1 out of 1 in 3u8r

Go back to Chlorine Binding Sites List in 3u8r
Chlorine binding site 1 out of 1 in the Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Thrombin Complexed with D-Phe-Pro-D-Arg-Ile within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl604

b:14.6
occ:0.99
HE2 H:HIS407 2.7 15.5 1.0
HB2 H:TRP569 3.1 15.0 1.0
HA H:LEU566 3.2 11.9 1.0
H H:TRP569 3.2 13.7 1.0
NE2 H:HIS407 3.6 13.1 1.0
HD23 H:LEU566 3.6 21.8 1.0
HB3 H:TRP569 3.7 15.0 1.0
HB2 H:LYS568 3.7 21.6 1.0
CB H:TRP569 3.8 12.6 1.0
O H:HOH767 3.8 17.5 1.0
N H:TRP569 3.9 11.5 1.0
CA H:LEU566 4.1 10.1 1.0
HD22 H:LEU566 4.1 21.8 1.0
O H:ARG565 4.2 11.5 1.0
O H:LEU566 4.2 10.8 1.0
C H:LEU566 4.3 9.1 1.0
CD2 H:LEU566 4.3 18.4 1.0
H H:LYS568 4.3 14.4 1.0
O H:HOH961 4.4 42.0 1.0
CA H:TRP569 4.4 11.6 1.0
HE1 H:HIS407 4.4 18.2 1.0
CE1 H:HIS407 4.4 15.4 1.0
HB3 H:LEU566 4.4 11.4 1.0
CD2 H:HIS407 4.5 10.5 1.0
CB H:LYS568 4.6 18.1 1.0
HD2 H:HIS407 4.6 12.4 1.0
HA H:TRP569 4.7 13.8 1.0
CB H:LEU566 4.8 9.7 1.0
N H:LYS568 4.8 12.2 1.0
C H:LYS568 4.8 12.2 1.0
HB3 H:LYS568 4.9 21.6 1.0
CA H:LYS568 4.9 13.4 1.0
HD21 H:LEU566 5.0 21.8 1.0

Reference:

A.C.Figueiredo, C.C.Clement, S.Zakia, J.Gingold, M.Philipp, P.J.Pereira. Rational Design and Characterization of D-Phe-Pro-D-Arg-Derived Direct Thrombin Inhibitors. Plos One V. 7 34354 2012.
ISSN: ESSN 1932-6203
PubMed: 22457833
DOI: 10.1371/JOURNAL.PONE.0034354
Page generated: Sat Dec 12 10:14:13 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy