MolNFT v1 · #120713 · protein
Lbdera mutant-T29L/F163Y
5H91 · Deoxyribose-phosphate aldolase: “Lbdera mutant-T29L/F163Y”. X-ray diffraction, 2 pockets (best druggability 0.54). MolNFT v1 #120713 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5H91
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deoxyribose-phosphate aldolase
- EC
- 4.1.2.4
- UniProt
- A0A0C1M4Q3
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Deoxyribose-phosphate aldolase (EC 4.1.2.4) | protein | 217 | 50% helix, 16% strand | A0A0C1M4Q3 |
Ligands and binding sites
- ACY · Acetic acid · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 171 | 0.54 | 0.79 | 30 | empty |
| 2 | 118 | 0.51 | 0.81 | 21 | ACY |
Interfaces
1 interface between chains.
- A–B · 1530 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 5H91 · LbDERA mutant-T29L/F163Y · 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 A0A0C1M4Q3
- Elsewhere: RCSB PDB 5H91 · PDBe 5H91 · UniProt A0A0C1M4Q3
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