Chlorine in PDB 3ee6: Crystal Structure Analysis of Tripeptidyl Peptidase -I

All present enzymatic activity of Crystal Structure Analysis of Tripeptidyl Peptidase -I:
3.4.14.9;

The structure of Crystal Structure Analysis of Tripeptidyl Peptidase -I, PDB code: 3ee6 was solved by A.Pal, R.Kraetzner, M.Grapp, T.Gruene, K.Schreiber, M.Granborg, H.Urlaub, A.R.Asif, S.Becker, J.Gartner, G.M.Sheldrick, R.Steinfeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.21 / 2.35
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	113.450, 128.930, 100.500, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 26.2

The structure of Crystal Structure Analysis of Tripeptidyl Peptidase -I also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Zinc	(Zn)	8 atoms

The binding sites of Chlorine atom in the Crystal Structure Analysis of Tripeptidyl Peptidase -I (pdb code 3ee6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure Analysis of Tripeptidyl Peptidase -I, PDB code: 3ee6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure Analysis of Tripeptidyl Peptidase -I


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of Tripeptidyl Peptidase -I within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl580 b:98.0 occ:1.00 O A:PRO563 2.6 87.0 1.0 CD A:ARG564 3.5 85.5 1.0 NE A:ARG497 3.6 75.3 1.0 NH2 A:ARG506 3.6 71.6 1.0 C A:PRO563 3.7 86.8 1.0 CD A:ARG497 3.7 73.8 1.0 O A:ASN562 3.7 85.6 1.0 NH1 A:ARG492 3.8 65.1 1.0 CG A:ARG564 3.9 86.2 1.0 NH2 A:ARG492 4.0 65.5 1.0 CZ A:ARG497 4.1 77.4 1.0 CA A:PRO563 4.2 86.6 1.0 CZ A:ARG492 4.4 65.5 1.0 CG A:ARG497 4.5 72.3 1.0 C A:ASN562 4.6 85.3 1.0 NH1 A:ARG497 4.6 77.0 1.0 CE2 A:TYR76 4.7 65.2 1.0 NH2 A:ARG497 4.7 78.9 1.0 N A:PRO563 4.8 86.2 1.0 NH1 A:ARG564 4.8 84.3 1.0 N A:ARG564 4.8 86.8 1.0 NE A:ARG564 4.8 85.1 1.0 CZ A:ARG506 4.8 70.2 1.0 CB A:ARG564 4.9 86.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure Analysis of Tripeptidyl Peptidase -I


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure Analysis of Tripeptidyl Peptidase -I within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl580 b:0.4 occ:1.00 O B:PRO563 2.1 88.5 1.0 C B:PRO563 3.3 88.6 1.0 NE B:ARG497 3.5 84.1 1.0 NH1 B:ARG564 3.5 92.5 1.0 NH2 B:ARG506 3.6 68.7 1.0 CB B:ARG564 3.8 89.7 1.0 NH1 B:ARG492 3.9 70.5 1.0 NH2 B:ARG492 3.9 69.9 1.0 NH2 B:ARG497 3.9 87.7 1.0 O B:ASN562 4.1 86.9 1.0 CA B:PRO563 4.1 88.1 1.0 CZ B:ARG497 4.1 86.5 1.0 CG B:ARG497 4.2 77.8 1.0 CD B:ARG564 4.2 90.8 1.0 N B:ARG564 4.3 89.1 1.0 CZ B:ARG492 4.3 69.6 1.0 CD B:ARG497 4.4 81.0 1.0 CA B:ARG564 4.6 89.6 1.0 CZ B:ARG564 4.6 92.0 1.0 CG B:ARG564 4.6 90.0 1.0 CE2 B:TYR76 4.7 67.8 1.0 CZ B:ARG506 4.7 68.6 1.0 NE B:ARG564 4.8 91.3 1.0

A.Pal, R.Kraetzner, T.Gruene, M.Grapp, K.Schreiber, M.Gronborg, H.Urlaub, S.Becker, A.R.Asif, J.Gartner, G.M.Sheldrick, R.Steinfeld. Structure of Tripeptidyl-Peptidase I Provides Insight Into the Molecular Basis of Late Infantile Neuronal Ceroid Lipofuscinosis J.Biol.Chem. V. 284 3976 2009.
ISSN: ISSN 0021-9258
PubMed: 19038966
DOI: 10.1074/JBC.M806947200