Research workbench
Crystal structure of meso-tetrasulphonatophenylporphyrin in complex with peanut lectin.
Analyse Crystal structure of meso-tetrasulphonatophenylporphyrin in complex with peanut… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1RIR
- Type
- protein
- Length
- 928 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Galactose-binding lectin
- UniProt
- P02872
- Ligands
- SFP, CA, MN
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Galactose-binding lectin | protein | 232 | 3% helix, 47% strand | P02872 |
Ligands and binding sites
- SFP · 5,10,15,20-tetrakis(4-sulpfonatophenyl)-21H,23H-porphine · ligand · 11 copies · chains A, B, C, D
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
- MN · Manganese (II) ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 836 | 0.79 | 0.82 | 125 | empty |
| 2 | 165 | 0.48 | 0.77 | 28 | empty |
| 3 | 147 | 0.47 | 0.77 | 30 | empty |
| 4 | 144 | 0.46 | 0.77 | 35 | empty |
| 5 | 121 | 0.42 | 0.76 | 29 | empty |
Interfaces
6 interfaces between chains.
- B–C · 939 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 937 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 688 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 590 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 46 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1RIR · Crystal structure of meso-tetrasulphonatophenylporphyrin in complex with Peanut lectin. · the same entry in another collection · chain B against B, TM-score 1.00
- P02872 · AlphaFold monomer V2.0 prediction for galactose-binding lectin (P02872) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P02872
- Elsewhere: RCSB PDB 1RIR · PDBe 1RIR · UniProt P02872
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