Chlorine in PDB 1zgs: Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose

The structure of Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose, PDB code: 1zgs was solved by F.Gallego Del Sol, B.S.Cavada, J.J.Calvete, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.239, 114.177, 80.304, 90.00, 119.88, 90.00
R / Rfree (%)	20.8 / 24.4

The structure of Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose also contains other interesting chemical elements:

Bromine

(Br)

6 atoms

The binding sites of Chlorine atom in the Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose (pdb code 1zgs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose, PDB code: 1zgs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl450 b:15.4 occ:1.00 CL A:XMM450 0.0 15.4 1.0 C10 A:XMM450 1.5 18.6 1.0 C8 A:XMM450 2.5 17.3 1.0 C13 A:XMM450 2.7 16.8 1.0 O1 A:XMM450 3.2 22.6 1.0 C7 A:XMM450 3.2 19.9 1.0 BR A:XMM450 3.4 10.7 1.0 C14 A:XMM450 3.6 21.1 1.0 C3 A:XMM450 3.8 29.2 1.0 C9 A:XMM450 3.9 18.1 1.0 CE2 A:PHE388 4.0 21.2 1.0 CD2 A:PHE388 4.2 24.7 1.0 O4 A:XMM450 4.2 25.2 1.0 C5 A:XMM450 4.2 29.7 1.0 C4 A:XMM450 4.3 29.0 1.0 C1 A:XMM450 4.3 28.7 1.0 C11 A:XMM450 4.4 18.4 1.0 C12 A:XMM450 4.4 20.4 1.0 C2 A:XMM450 4.6 29.9 1.0 O5 A:XMM450 4.6 29.8 1.0 O3 A:XMM450 4.7 29.8 1.0 N1 A:XMM450 4.9 19.2 1.0 CZ A:PHE388 5.0 21.6 1.0

Chlorine binding site 2 out of 6 in the Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl451 b:11.2 occ:1.00 CL A:XMM451 0.0 11.2 1.0 C10 A:XMM451 1.5 17.0 1.0 C8 A:XMM451 2.5 15.6 1.0 C13 A:XMM451 2.7 15.3 1.0 C7 A:XMM451 3.1 17.4 1.0 O1 A:XMM451 3.2 18.8 1.0 BR A:XMM451 3.4 8.9 1.0 C14 A:XMM451 3.6 18.1 1.0 C1 A:XMM451 3.6 23.4 1.0 C9 A:XMM451 3.9 15.6 1.0 C2 A:XMM451 4.0 23.7 1.0 OD2 A:ASP165 4.0 34.8 1.0 C11 A:XMM451 4.3 14.8 1.0 C12 A:XMM451 4.4 15.4 1.0 O A:HOH541 4.4 38.5 1.0 N1 A:XMM451 4.9 15.7 1.0 O2 A:XMM451 4.9 26.1 1.0 O5 A:XMM451 5.0 25.2 1.0 CG A:ASP165 5.0 35.4 1.0

Chlorine binding site 3 out of 6 in the Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl452 b:17.1 occ:1.00 CL A:XMM452 0.0 17.1 1.0 C10 A:XMM452 1.5 18.9 1.0 C8 A:XMM452 2.5 18.3 1.0 C13 A:XMM452 2.6 19.5 1.0 O1 A:XMM452 3.2 21.9 1.0 C7 A:XMM452 3.2 21.0 1.0 BR A:XMM452 3.3 11.9 1.0 C5 A:XMM452 3.6 24.2 1.0 C14 A:XMM452 3.6 21.0 1.0 CG2 A:VAL92 3.9 30.5 1.0 C9 A:XMM452 3.9 20.2 1.0 CD2 A:TYR137 4.0 32.1 1.0 C6 A:XMM452 4.0 25.9 1.0 O5 A:XMM452 4.0 25.9 1.0 CE1 A:TYR138 4.1 35.8 1.0 CG A:TYR137 4.3 28.3 1.0 C1 A:XMM452 4.3 23.8 1.0 C11 A:XMM452 4.3 19.1 1.0 C12 A:XMM452 4.4 19.9 1.0 CB A:TYR137 4.4 26.8 1.0 CE2 A:TYR137 4.5 33.4 1.0 CD1 A:TYR138 4.6 32.5 1.0 C4 A:XMM452 4.7 21.7 1.0 CZ A:TYR138 4.9 35.0 1.0 N1 A:XMM452 4.9 20.9 1.0 CB A:VAL92 5.0 28.6 1.0 O4 A:XMM452 5.0 22.7 1.0 OH A:TYR138 5.0 36.0 1.0

Chlorine binding site 4 out of 6 in the Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl453 b:16.1 occ:1.00 CL B:XMM453 0.0 16.1 1.0 C10 B:XMM453 1.5 18.8 1.0 C8 B:XMM453 2.5 18.5 1.0 C13 B:XMM453 2.6 19.6 1.0 O1 B:XMM453 3.1 22.5 1.0 C7 B:XMM453 3.1 21.5 1.0 BR B:XMM453 3.3 12.2 1.0 C5 B:XMM453 3.5 25.7 1.0 C14 B:XMM453 3.6 21.5 1.0 CG2 B:VAL92 3.8 30.5 1.0 C9 B:XMM453 3.9 19.8 1.0 C6 B:XMM453 3.9 27.5 1.0 CD2 B:TYR137 3.9 32.1 1.0 O5 B:XMM453 4.0 27.4 1.0 CE1 B:TYR138 4.1 35.8 1.0 C1 B:XMM453 4.3 24.6 1.0 CG B:TYR137 4.3 28.3 1.0 C11 B:XMM453 4.3 19.2 1.0 C12 B:XMM453 4.4 19.2 1.0 CB B:TYR137 4.4 26.8 1.0 CE2 B:TYR137 4.5 33.4 1.0 CD1 B:TYR138 4.6 32.5 1.0 C4 B:XMM453 4.7 22.4 1.0 N1 B:XMM453 4.9 20.8 1.0 O6 B:XMM453 4.9 32.8 1.0 CZ B:TYR138 4.9 35.0 1.0 CB B:VAL92 4.9 28.6 1.0 O4 B:XMM453 5.0 22.4 1.0

Chlorine binding site 5 out of 6 in the Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl454 b:11.7 occ:1.00 CL B:XMM454 0.0 11.7 1.0 C10 B:XMM454 1.5 16.5 1.0 C8 B:XMM454 2.5 16.0 1.0 C13 B:XMM454 2.7 16.1 1.0 C7 B:XMM454 3.2 17.6 1.0 O1 B:XMM454 3.2 19.2 1.0 BR B:XMM454 3.4 9.1 1.0 C14 B:XMM454 3.6 18.6 1.0 C1 B:XMM454 3.7 21.7 1.0 C9 B:XMM454 3.9 17.0 1.0 OD2 B:ASP165 4.0 34.9 1.0 C2 B:XMM454 4.0 21.8 1.0 C11 B:XMM454 4.3 15.1 1.0 C12 B:XMM454 4.4 16.8 1.0 O B:HOH546 4.5 34.1 1.0 N1 B:XMM454 4.9 16.1 1.0 O2 B:XMM454 4.9 24.4 1.0 CG B:ASP165 5.0 35.4 1.0

Chlorine binding site 6 out of 6 in the Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Parkia Platycephala Seed Lectin in Complex with 5-Bromo-4- Chloro-3-Indolyl-A-D-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl455 b:15.9 occ:1.00 CL B:XMM455 0.0 15.9 1.0 C10 B:XMM455 1.5 20.1 1.0 C8 B:XMM455 2.5 18.0 1.0 C13 B:XMM455 2.7 18.0 1.0 C7 B:XMM455 3.3 20.9 1.0 O1 B:XMM455 3.3 23.1 1.0 BR B:XMM455 3.4 11.9 1.0 C14 B:XMM455 3.6 22.3 1.0 C3 B:XMM455 3.8 27.5 1.0 C9 B:XMM455 3.9 19.2 1.0 CE2 B:PHE388 4.0 21.1 1.0 CD2 B:PHE388 4.2 24.6 1.0 C5 B:XMM455 4.3 28.6 1.0 O4 B:XMM455 4.4 22.8 1.0 C11 B:XMM455 4.4 19.6 1.0 C4 B:XMM455 4.4 27.0 1.0 C12 B:XMM455 4.4 21.7 1.0 C1 B:XMM455 4.4 27.4 1.0 C2 B:XMM455 4.6 28.2 1.0 O3 B:XMM455 4.7 28.5 1.0 O5 B:XMM455 4.8 29.0 1.0 N1 B:XMM455 5.0 20.2 1.0

F.Gallego Del Sol, C.Nagano, B.S.Cavada, J.J.Calvete. The First Crystal Structure of A Mimosoideae Lectin Reveals A Novel Quaternary Arrangement of A Widespread Domain. J.Mol.Biol. V. 353 574 2005.
ISSN: ISSN 0022-2836
PubMed: 16185708
DOI: 10.1016/J.JMB.2005.08.055