MolNFT v1 · #20666 · protein
Transition state analogue of ybiv from E. COLI K12
1RLT · Phosphatase: “Transition state analogue of ybiv from E. COLI K12”. X-ray diffraction, 2 ligands (AF3, MG), 6 pockets (best druggability 0.54). MolNFT v1 #20666 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1RLT
- Type
- protein
- Length
- 1,072 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatase
- EC
- 3.1.3.-
- UniProt
- P75792
- Ligands
- AF3, MG
- Pockets
- 6 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Phosphatase (EC 3.1.3.-) | protein | 268 | 40% helix, 24% strand | P75792 |
Ligands and binding sites
- AF3 · Aluminum fluoride · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 2 copies · chains C, D
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.54 | 0.82 | 26 | MG, AF3, GOL |
| 2 | 78 | 0.39 | 0.78 | 13 | empty |
| 3 | 70 | 0.38 | 0.77 | 13 | empty |
| 4 | 50 | 0.35 | 0.79 | 14 | empty |
| 5 | 61 | 0.32 | 0.75 | 13 | empty |
Compared structures
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 P75792
- Elsewhere: RCSB PDB 1RLT · PDBe 1RLT · UniProt P75792
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