Chlorine in PDB 3plf: Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain

The structure of Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain, PDB code: 3plf was solved by Q.Sun, J.Sivaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.08 / 1.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.743, 104.483, 60.548, 90.00, 90.19, 90.00
R / Rfree (%)	15.9 / 18

The structure of Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain (pdb code 3plf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain, PDB code: 3plf:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl352 b:30.9 occ:1.00 N B:ASN344 3.4 32.3 1.0 CB B:ARG343 3.7 27.7 1.0 NE B:ARG343 3.9 32.2 1.0 CA B:ARG343 4.0 28.6 1.0 C B:ARG343 4.2 29.7 1.0 CB B:ASN344 4.3 37.3 1.0 CA B:ASN344 4.4 35.4 1.0 N B:GLN345 4.4 36.8 1.0 OD1 B:ASN344 4.4 48.5 1.0 CG B:ARG343 4.4 31.6 1.0 NH1 B:ARG343 4.5 35.4 1.0 O D:HOH434 4.6 47.2 1.0 CG B:ASN344 4.7 41.2 1.0 CZ B:ARG343 4.7 34.3 1.0 CD B:ARG343 4.8 29.7 1.0 C B:ASN344 4.9 36.6 1.0

Chlorine binding site 2 out of 4 in the Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl353 b:30.9 occ:1.00 NE B:ARG149 3.8 27.5 1.0 O B:HOH579 4.0 36.7 1.0 NH2 B:ARG149 4.1 25.1 1.0 CG B:ARG149 4.3 22.6 1.0 O D:HOH460 4.4 32.4 1.0 CZ B:ARG149 4.4 25.1 1.0 NE2 B:GLN146 4.5 40.1 1.0 O B:HOH528 4.5 42.0 1.0 CD B:ARG149 4.7 25.3 1.0 O B:HOH444 4.8 26.0 1.0 O B:HOH536 5.0 35.2 1.0

Chlorine binding site 3 out of 4 in the Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl354 b:30.9 occ:1.00 NE2 B:HIS320 3.4 43.1 1.0 ND2 B:ASN321 3.6 46.3 1.0 CE1 B:HIS320 4.2 41.4 1.0 CD2 B:HIS320 4.4 41.0 1.0 CG B:ASN321 4.7 43.0 1.0

Chlorine binding site 4 out of 4 in the Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Reverse Binding Mode of Metrd Peptide Complexed with C-Cbl Tkb Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl352 b:30.9 occ:1.00 NE D:ARG149 3.8 21.6 1.0 NH2 D:ARG149 4.0 21.7 1.0 O B:HOH517 4.0 55.8 1.0 O D:HOH630 4.1 30.4 1.0 O D:HOH588 4.3 35.8 1.0 CZ D:ARG149 4.4 22.1 1.0 O D:HOH557 4.4 29.3 1.0 CG D:ARG149 4.6 21.8 1.0 NE2 D:GLN146 4.7 36.1 1.0 CD D:ARG149 4.8 22.5 1.0 O D:HOH632 5.0 31.8 1.0 SD B:MET222 5.0 27.6 1.0

Q.Sun, C.Ng, G.R.Guy, J.Sivaraman. An Adjacent Arginine, and the Phosphorylated Tyrosine in the C-Met Receptor Target Sequence, Dictates the Orientation of C-Cbl Binding Febs Lett. V. 585 281 2011.
ISSN: ISSN 0014-5793
PubMed: 21163258
DOI: 10.1016/J.FEBSLET.2010.11.060