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Iodine in PDB 3u8t: Human Thrombin Complexed with D-Phe-Pro-D-Arg-Cys

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

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

Protein crystallography data

The structure of Human Thrombin Complexed with D-Phe-Pro-D-Arg-Cys, PDB code: 3u8t 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) 34.99 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.800, 77.100, 83.430, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 19.5

Other elements in 3u8t:

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

Chlorine (Cl) 1 atom
Sodium (Na) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Human Thrombin Complexed with D-Phe-Pro-D-Arg-Cys (pdb code 3u8t). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Human Thrombin Complexed with D-Phe-Pro-D-Arg-Cys, PDB code: 3u8t:

Iodine binding site 1 out of 1 in 3u8t

Go back to Iodine Binding Sites List in 3u8t
Iodine binding site 1 out of 1 in the Human Thrombin Complexed with D-Phe-Pro-D-Arg-Cys


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human Thrombin Complexed with D-Phe-Pro-D-Arg-Cys within 5.0Å range:
probe atom residue distance (Å) B Occ
H:I603

b:21.7
occ:0.80
O H:HOH792 3.3 21.6 1.0
N H:MET400 3.6 16.1 1.0
CB H:LYS426 4.1 19.3 1.0
CA H:SER399 4.1 12.2 1.0
N H:LYS427 4.1 10.4 1.0
CE H:MET400 4.2 29.6 1.0
CB H:LYS427 4.2 22.1 1.0
CB H:SER399 4.3 12.9 1.0
CB H:MET400 4.4 13.3 1.0
C H:SER399 4.4 14.0 1.0
O H:MET400 4.4 13.7 1.0
CA H:MET400 4.5 16.1 1.0
CG H:MET400 4.5 15.2 1.0
OG H:SER399 4.5 17.6 1.0
NZ H:LYS397 4.6 11.5 0.5
C H:LYS426 4.6 15.9 1.0
N H:LYS426 4.7 15.9 1.0
CA H:LYS426 4.7 16.5 1.0
O H:LYS427 4.7 16.6 1.0
CA H:LYS427 4.8 12.7 1.0
O H:ILE398 4.8 13.8 1.0
C H:MET400 4.8 15.4 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: Sun Dec 13 19:30:38 2020

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