Bromine 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:

Chlorine

(Cl)

6 atoms

The binding sites of Bromine 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 Bromine atom.
In total 6 binding sites of Bromine 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 Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine 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 Bromine with other atoms in the Br 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:Br450 b:10.7 occ:1.00 BR A:XMM450 0.0 10.7 1.0 C13 A:XMM450 1.5 16.8 1.0 C14 A:XMM450 2.4 21.1 1.0 C10 A:XMM450 2.7 18.6 1.0 CL A:XMM450 3.4 15.4 1.0 C12 A:XMM450 3.7 20.4 1.0 CB A:ASP386 3.8 37.2 1.0 CG A:ASP386 3.9 38.5 1.0 C8 A:XMM450 4.0 17.3 1.0 OD2 A:ASP386 4.0 39.1 1.0 O A:VAL387 4.2 33.3 1.0 C9 A:XMM450 4.4 18.1 1.0 OD1 A:ASP386 4.5 35.8 1.0 CE2 A:PHE388 4.6 21.2 1.0 CZ A:PHE388 4.8 21.6 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br451 b:8.9 occ:1.00 BR A:XMM451 0.0 8.9 1.0 C13 A:XMM451 1.5 15.3 1.0 C14 A:XMM451 2.5 18.1 1.0 C10 A:XMM451 2.7 17.0 1.0 CL A:XMM451 3.4 11.2 1.0 C12 A:XMM451 3.8 15.4 1.0 C8 A:XMM451 4.0 15.6 1.0 C9 A:XMM451 4.4 15.6 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br452 b:11.9 occ:1.00 BR A:XMM452 0.0 11.9 1.0 C13 A:XMM452 1.5 19.5 1.0 C14 A:XMM452 2.5 21.0 1.0 C10 A:XMM452 2.7 18.9 1.0 CL A:XMM452 3.3 17.1 1.0 NH2 A:ARG60 3.6 54.3 1.0 C12 A:XMM452 3.8 19.9 1.0 C8 A:XMM452 4.0 18.3 1.0 ND2 A:ASN90 4.2 29.0 1.0 CB A:ASN90 4.3 32.2 1.0 O A:ASN90 4.4 32.5 1.0 OH A:TYR138 4.4 36.0 1.0 C9 A:XMM452 4.4 20.2 1.0 CZ A:ARG60 4.6 55.2 1.0 NH1 A:ARG60 4.7 55.2 1.0 CG A:ASN90 4.8 35.1 1.0 CE1 A:TYR138 4.9 35.8 1.0 CD2 A:TYR137 4.9 32.1 1.0 CG2 A:VAL92 5.0 30.5 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br453 b:12.2 occ:1.00 BR B:XMM453 0.0 12.2 1.0 C13 B:XMM453 1.5 19.6 1.0 C14 B:XMM453 2.5 21.5 1.0 C10 B:XMM453 2.7 18.8 1.0 CL B:XMM453 3.3 16.1 1.0 NH2 B:ARG60 3.6 54.3 1.0 C12 B:XMM453 3.8 19.2 1.0 C8 B:XMM453 3.9 18.5 1.0 ND2 B:ASN90 4.2 29.1 1.0 CB B:ASN90 4.3 32.2 1.0 O B:ASN90 4.3 32.4 1.0 OH B:TYR138 4.4 36.1 1.0 C9 B:XMM453 4.4 19.8 1.0 CZ B:ARG60 4.6 55.1 1.0 NH1 B:ARG60 4.7 55.1 1.0 CG B:ASN90 4.8 35.2 1.0 CE1 B:TYR138 4.9 35.8 1.0 CD2 B:TYR137 4.9 32.1 1.0 CE2 B:TYR137 5.0 33.4 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br454 b:9.1 occ:1.00 BR B:XMM454 0.0 9.1 1.0 C13 B:XMM454 1.5 16.1 1.0 C14 B:XMM454 2.5 18.6 1.0 C10 B:XMM454 2.8 16.5 1.0 CL B:XMM454 3.4 11.7 1.0 C12 B:XMM454 3.8 16.8 1.0 C8 B:XMM454 4.0 16.0 1.0 C9 B:XMM454 4.4 17.0 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br455 b:11.9 occ:1.00 BR B:XMM455 0.0 11.9 1.0 C13 B:XMM455 1.4 18.0 1.0 C14 B:XMM455 2.4 22.3 1.0 C10 B:XMM455 2.7 20.1 1.0 CL B:XMM455 3.4 15.9 1.0 C12 B:XMM455 3.7 21.7 1.0 CB B:ASP386 3.8 37.1 1.0 CG B:ASP386 3.8 38.5 1.0 OD2 B:ASP386 3.9 39.1 1.0 C8 B:XMM455 4.0 18.0 1.0 O B:VAL387 4.2 33.4 1.0 C9 B:XMM455 4.4 19.2 1.0 OD1 B:ASP386 4.5 35.8 1.0 CE2 B:PHE388 4.7 21.1 1.0 CZ B:PHE388 4.9 21.6 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