Chlorine in PDB 4a5z: Structures of MITD1

The structure of Structures of MITD1, PDB code: 4a5z was solved by M.A.Hadders, M.Agromayor, A.Caballe, T.Obita, O.Perisic, R.L.Williams, J.Martin-Serrano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.20 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.020, 109.410, 74.460, 90.00, 100.55, 90.00
R / Rfree (%)	19.06 / 22.19

The binding sites of Chlorine atom in the Structures of MITD1 (pdb code 4a5z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structures of MITD1, PDB code: 4a5z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Structures of MITD1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structures of MITD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1245 b:23.8 occ:1.00 NE A:ARG136 3.3 16.2 1.0 N A:TYR103 3.3 5.1 1.0 CB A:PHE228 3.4 7.6 1.0 CB A:SER102 3.7 4.0 1.0 CA A:SER102 3.7 4.4 1.0 CD2 A:TYR103 3.8 8.8 1.0 NH2 A:ARG136 3.8 6.2 1.0 CG A:TYR103 3.9 8.1 1.0 CG A:PHE228 3.9 6.2 1.0 C A:SER102 4.0 8.0 1.0 CZ A:ARG136 4.0 27.7 1.0 CB A:TYR103 4.2 6.2 1.0 CE2 A:TYR103 4.2 9.4 1.0 CD A:ARG136 4.2 4.7 1.0 CD1 A:PHE228 4.3 6.8 1.0 CA A:TYR103 4.3 5.6 1.0 CD1 A:TYR103 4.4 9.2 1.0 CZ A:PHE214 4.5 7.2 1.0 CB A:ARG136 4.5 4.6 1.0 CD2 A:PHE228 4.6 8.1 1.0 CZ A:TYR103 4.7 13.1 1.0 CA A:PHE228 4.7 8.6 1.0 CE2 A:PHE214 4.8 9.0 1.0 OG A:SER102 4.8 11.3 1.0 CE1 A:TYR103 4.8 8.7 1.0 N A:GLU104 5.0 9.3 1.0

Chlorine binding site 2 out of 8 in the Structures of MITD1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structures of MITD1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1246 b:34.3 occ:1.00 O A:HOH2021 3.0 7.5 1.0 NH1 A:ARG231 3.1 9.1 1.0 NH2 A:ARG231 3.5 11.6 1.0 CB A:HIS129 3.8 10.1 1.0 CZ A:ARG231 3.8 18.2 1.0 O A:HOH2050 4.0 32.3 1.0 CZ A:PHE228 4.0 8.9 1.0 CE2 A:PHE228 4.1 8.6 1.0 CG A:HIS129 4.6 14.3 1.0 CA A:HIS129 4.7 8.6 1.0 CD2 A:HIS129 4.8 15.2 1.0 CD A:PRO217 4.9 22.0 1.0 OD1 A:ASN133 5.0 8.6 1.0

Chlorine binding site 3 out of 8 in the Structures of MITD1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structures of MITD1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1244 b:12.8 occ:1.00 O B:HOH2006 3.1 12.4 1.0 O B:HOH2051 3.2 10.9 1.0 NE B:ARG136 3.3 9.5 1.0 N B:TYR103 3.3 8.7 1.0 CB B:PHE228 3.5 8.2 1.0 CB B:SER102 3.6 5.0 1.0 CA B:SER102 3.7 6.0 1.0 NH2 B:ARG136 3.9 8.2 1.0 CD2 B:TYR103 3.9 9.1 1.0 CG B:PHE228 3.9 7.7 1.0 CG B:TYR103 4.0 10.0 1.0 C B:SER102 4.0 12.5 1.0 CZ B:ARG136 4.0 18.6 1.0 CD1 B:PHE228 4.2 8.3 1.0 CD B:ARG136 4.2 10.4 1.0 CB B:TYR103 4.3 9.3 1.0 CE2 B:TYR103 4.3 8.7 1.0 CA B:TYR103 4.4 8.2 1.0 CB B:ARG136 4.5 4.2 1.0 CZ B:PHE214 4.5 12.3 1.0 CD1 B:TYR103 4.5 11.2 1.0 O B:HOH2024 4.7 20.1 1.0 OG B:SER102 4.7 14.0 1.0 CA B:PHE228 4.7 8.1 1.0 CD2 B:PHE228 4.7 9.9 1.0 CZ B:TYR103 4.8 11.7 1.0 CE2 B:PHE214 4.8 13.9 1.0 CE1 B:TYR103 4.9 9.6 1.0 CG B:ARG136 5.0 8.9 1.0 N B:PHE228 5.0 10.7 1.0

Chlorine binding site 4 out of 8 in the Structures of MITD1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structures of MITD1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1245 b:13.0 occ:1.00 O B:HOH2022 2.8 9.6 1.0 O B:HOH2019 3.1 15.8 1.0 NH1 B:ARG231 3.2 6.7 1.0 NH2 B:ARG231 3.5 4.6 1.0 CZ B:ARG231 3.8 23.3 1.0 CZ B:PHE228 3.9 9.2 1.0 CE2 B:PHE228 4.0 9.7 1.0 CB B:HIS129 4.1 9.1 1.0 CD B:PRO217 4.8 13.7 1.0 CG B:HIS129 4.9 12.4 1.0 CA B:HIS129 4.9 8.7 1.0 CD2 B:HIS129 5.0 13.5 1.0

Chlorine binding site 5 out of 8 in the Structures of MITD1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structures of MITD1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1244 b:18.8 occ:1.00 O C:HOH2007 3.2 17.3 1.0 NE C:ARG136 3.2 7.3 1.0 N C:TYR103 3.3 7.8 1.0 O C:HOH2045 3.6 14.0 1.0 CB C:PHE228 3.6 10.0 1.0 CD2 C:TYR103 3.7 7.4 1.0 CB C:SER102 3.7 5.3 1.0 CA C:SER102 3.8 5.2 1.0 NH2 C:ARG136 3.8 4.8 1.0 CG C:TYR103 3.8 7.3 1.0 CZ C:ARG136 4.0 23.2 1.0 CG C:PHE228 4.0 10.4 1.0 C C:SER102 4.1 10.4 1.0 CE2 C:TYR103 4.1 8.2 1.0 CD C:ARG136 4.2 6.5 1.0 CB C:TYR103 4.2 7.1 1.0 CD1 C:PHE228 4.2 12.2 1.0 CA C:TYR103 4.3 7.5 1.0 CB C:ARG136 4.4 6.2 1.0 CD1 C:TYR103 4.4 8.4 1.0 O C:HOH2023 4.5 15.2 1.0 CZ C:PHE214 4.5 6.0 1.0 CZ C:TYR103 4.6 11.9 1.0 CE1 C:TYR103 4.8 6.1 1.0 CE2 C:PHE214 4.8 7.8 1.0 OG C:SER102 4.8 11.2 1.0 CD2 C:PHE228 4.8 12.0 1.0 CG C:ARG136 4.9 16.0 1.0 CA C:PHE228 4.9 9.5 1.0

Chlorine binding site 6 out of 8 in the Structures of MITD1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structures of MITD1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1245 b:14.3 occ:1.00 O C:HOH2021 3.1 6.8 1.0 NH1 C:ARG231 3.3 9.4 1.0 NH2 C:ARG231 3.5 7.7 1.0 CZ C:ARG231 3.8 22.5 1.0 CZ C:PHE228 3.9 13.6 1.0 CE2 C:PHE228 4.0 12.7 1.0 CB C:HIS129 4.1 9.0 1.0 CG C:HIS129 4.9 12.4 1.0 CA C:HIS129 4.9 8.8 1.0

Chlorine binding site 7 out of 8 in the Structures of MITD1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structures of MITD1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1246 b:31.4 occ:1.00 O C:HOH2037 3.2 21.0 1.0 NE1 C:TRP203 3.2 16.4 1.0 NE1 B:TRP203 3.2 15.8 1.0 O B:HOH2009 3.3 14.9 1.0 O B:HOH2041 3.5 13.0 1.0 CE2 C:TRP203 4.0 17.4 1.0 CE2 B:TRP203 4.1 16.9 1.0 CZ2 C:TRP203 4.2 17.6 1.0 CZ2 B:TRP203 4.2 16.7 1.0 CD1 B:TRP203 4.3 15.7 1.0 ND2 B:ASN112 4.3 15.5 1.0 CD1 C:TRP203 4.3 15.8 1.0 ND2 C:ASN112 4.5 26.2 1.0 ND2 B:ASN201 4.7 11.9 1.0 ND2 C:ASN201 4.9 11.4 1.0

Chlorine binding site 8 out of 8 in the Structures of MITD1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structures of MITD1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1244 b:18.8 occ:1.00 O D:HOH2006 3.0 13.2 1.0 N D:TYR103 3.3 9.4 1.0 NE D:ARG136 3.3 12.2 1.0 O D:HOH2043 3.4 14.5 1.0 CB D:PHE228 3.6 8.6 1.0 CB D:SER102 3.7 4.8 1.0 CD2 D:TYR103 3.7 10.1 1.0 CA D:SER102 3.7 6.3 1.0 NH2 D:ARG136 3.8 4.3 1.0 CG D:TYR103 3.8 10.4 1.0 C D:SER102 4.0 11.2 1.0 CZ D:ARG136 4.0 24.4 1.0 CG D:PHE228 4.0 8.4 1.0 CE2 D:TYR103 4.1 9.6 1.0 CB D:TYR103 4.2 7.9 1.0 CD D:ARG136 4.3 6.1 1.0 CA D:TYR103 4.3 7.6 1.0 CD1 D:PHE228 4.4 9.9 1.0 CD1 D:TYR103 4.4 12.3 1.0 CZ D:PHE214 4.4 9.1 1.0 CB D:ARG136 4.5 7.4 1.0 CZ D:TYR103 4.6 13.7 1.0 CE2 D:PHE214 4.7 10.6 1.0 CE1 D:TYR103 4.7 11.9 1.0 OG D:SER102 4.8 9.8 1.0 CA D:PHE228 4.8 8.5 1.0 O D:HOH2020 4.8 18.8 1.0 CD2 D:PHE228 4.8 9.3 1.0

M.A.Hadders, M.Agromayor, T.Obita, O.Perisic, A.Caballe, M.Kloc, M.H.Lamers, R.L.Williams, J.Martin-Serrano. Escrt-III Binding Protein MITD1 Is Involved in Cytokinesis and Has An Unanticipated Pld Fold That Binds Membranes. Proc.Natl.Acad.Sci.Usa V. 109 17424 2012.
ISSN: ISSN 0027-8424
PubMed: 23045692
DOI: 10.1073/PNAS.1206839109