MolNFT v1 · #166504 · protein
Crystal structure of ricin a chain in complex with inhibitor 5-phenyl- 2-thiophenecarboxylic acid
6URX: “Crystal structure of ricin a chain in complex with inhibitor 5-phenyl- 2-thiophenecarboxylic acid”. X-ray diffraction, 1 ligand (JMG), 2 pockets (best druggability 0.58). MolNFT v1 #166504 on GenesisL1: 3D structure, binding sites…
- PDB
- 6URX
- Type
- protein
- Length
- 259 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ricin
- EC
- 3.2.2.22
- UniProt
- P02879
- Ligands
- JMG
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ricin (EC 3.2.2.22) | protein | 259 | 40% helix, 21% strand | P02879 |
Ligands and binding sites
- JMG · 5-phenylthiophene-2-carboxylic acid · ligand · chains A
- EDO · 1,2-ethanediol · additive · 15 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 264 | 0.58 | 0.78 | 34 | empty |
| 2 | 74 | 0.34 | 0.75 | 17 | empty |
Compared structures
- 6URX · Crystal structure of ricin A chain in complex with inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
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 P02879
- Elsewhere: RCSB PDB 6URX · PDBe 6URX · UniProt P02879
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