Chlorine in PDB 2dup: Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form

The structure of Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form, PDB code: 2dup was solved by T.Satoh, N.P.Cowieson, R.Kato, S.Wakatsuki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	171.000, 45.200, 117.100, 90.00, 132.60, 90.00
R / Rfree (%)	22.5 / 27.8

The structure of Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form (pdb code 2dup). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form, PDB code: 2dup:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:34.8 occ:1.00 N A:GLN65 3.3 45.9 1.0 O A:HOH343 3.3 38.5 1.0 NH2 A:ARG56 3.3 39.1 1.0 NH1 A:ARG56 3.6 36.4 1.0 N A:ILE61 3.6 35.4 1.0 O A:SER59 3.7 30.3 1.0 CA A:LEU60 3.8 32.7 1.0 CA A:TYR64 3.8 43.8 1.0 O A:ILE61 3.9 38.0 1.0 CZ A:ARG56 3.9 39.2 1.0 C A:TYR64 4.0 45.2 1.0 CD1 A:TRP75 4.1 32.6 1.0 CB A:GLN65 4.1 46.4 1.0 CD1 A:LEU60 4.1 28.8 1.0 CB A:TYR64 4.2 42.1 1.0 CD1 A:LEU74 4.2 35.5 1.0 NE1 A:TRP75 4.2 32.5 1.0 C A:LEU60 4.2 33.3 1.0 CA A:GLN65 4.2 46.4 1.0 CD2 A:TYR64 4.5 37.8 1.0 C A:SER59 4.6 30.9 1.0 CB A:LEU74 4.6 38.6 1.0 CB A:LEU60 4.6 32.0 1.0 CA A:ILE61 4.6 36.8 1.0 CG A:LEU60 4.7 32.4 1.0 N A:LEU60 4.7 31.2 1.0 C A:ILE61 4.7 38.5 1.0 O A:GLN65 4.7 46.6 1.0 CG A:LEU74 4.8 38.4 1.0 CG A:TYR64 4.8 40.0 1.0 O A:PRO63 5.0 45.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4 b:50.5 occ:1.00 NH1 A:ARG209 3.4 43.7 1.0 N A:ASP210 3.5 39.1 1.0 CD A:ARG209 3.5 40.9 1.0 CE1 A:HIS211 3.6 29.3 1.0 CB A:ASP210 4.0 39.7 1.0 CA A:ARG209 4.1 38.4 1.0 ND1 A:HIS211 4.1 30.6 1.0 OD2 A:ASP210 4.1 46.1 1.0 CG A:ASP210 4.2 43.0 1.0 CZ A:ARG209 4.3 44.2 1.0 C A:ARG209 4.3 38.4 1.0 NE A:ARG209 4.3 43.8 1.0 CA A:ASP210 4.4 38.9 1.0 CB A:ARG209 4.4 38.2 1.0 NE2 A:HIS211 4.5 30.2 1.0 CG A:ARG209 4.6 39.0 1.0 O A:ASN208 4.8 37.5 1.0 OD1 A:ASP210 4.9 44.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3 b:38.0 occ:1.00 NH2 B:ARG56 3.0 48.5 1.0 NH1 B:ARG56 3.6 49.5 1.0 N B:GLY66 3.6 48.9 1.0 N B:ILE61 3.7 43.0 1.0 CZ B:ARG56 3.7 49.9 1.0 O B:ILE61 3.8 44.4 1.0 CA B:GLY66 3.9 49.7 1.0 CA B:TYR64 3.9 45.2 1.0 O B:SER59 4.0 40.1 1.0 CA B:LEU60 4.0 40.7 1.0 CD1 B:TRP75 4.1 32.8 1.0 CD1 B:LEU60 4.2 35.5 1.0 C B:TYR64 4.2 46.2 1.0 N B:GLN65 4.3 47.3 1.0 C B:LEU60 4.4 41.3 1.0 NE1 B:TRP75 4.4 34.2 1.0 C B:ILE61 4.6 44.7 1.0 CA B:ILE61 4.7 44.2 1.0 CB B:TYR64 4.8 43.6 1.0 O B:GLY66 4.8 50.1 1.0 C B:GLY66 4.8 50.3 1.0 N B:TYR64 4.8 45.3 1.0 C B:SER59 4.8 40.6 1.0 C B:GLN65 4.8 48.5 1.0 O B:TYR64 4.8 45.8 1.0 CD1 B:LEU74 4.9 35.5 1.0 CB B:LEU60 4.9 40.3 1.0 N B:LEU60 4.9 40.2 1.0 CB B:LEU74 4.9 35.4 1.0 CG B:LEU60 5.0 39.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of VIP36 Exoplasmic/Lumenal Domain, Metal-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5 b:52.5 occ:1.00 NE B:ARG209 3.0 46.3 1.0 N B:ASP210 3.3 46.2 1.0 CE1 B:HIS211 3.6 45.4 1.0 NH2 B:ARG209 3.6 46.1 1.0 CA B:ARG209 3.7 44.3 1.0 CZ B:ARG209 3.8 46.2 1.0 CD B:ARG209 3.9 46.2 1.0 C B:ARG209 4.0 45.2 1.0 CG B:ASP210 4.1 50.6 1.0 OD2 B:ASP210 4.1 53.4 1.0 ND1 B:HIS211 4.1 45.2 1.0 CB B:ARG209 4.2 44.2 1.0 CB B:ASP210 4.2 48.6 1.0 CA B:ASP210 4.3 47.4 1.0 O B:ASN208 4.5 41.6 1.0 NE2 B:HIS211 4.5 45.1 1.0 OD1 B:ASP210 4.6 53.7 1.0 CG B:ARG209 4.6 44.4 1.0 N B:ARG209 4.9 42.7 1.0

T.Satoh, N.P.Cowieson, W.Hakamata, H.Ideo, K.Fukushima, M.Kurihara, R.Kato, K.Yamashita, S.Wakatsuki. Structural Basis For Recognition of High Mannose Type Glycoproteins By Mammalian Transport Lectin VIP36 J.Biol.Chem. V. 282 28246 2007.
ISSN: ISSN 0021-9258
PubMed: 17652092
DOI: 10.1074/JBC.M703064200