MolNFT v1 · #91707 · protein
Structural and biochemical characterization of human adenylosuccinate lyase (adsl) and the R303C adsl deficiency associated mutation
4FLC: “Structural and biochemical characterization of human adenylosuccinate lyase (adsl) and the R303C adsl…”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #91707 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4FLC
- Type
- protein
- Length
- 1,839 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylosuccinate lyase
- EC
- 4.3.2.2
- UniProt
- P30566
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylosuccinate lyase (EC 4.3.2.2) | protein | 460 | 66% helix, 4% strand | P30566 |
| B | Adenylosuccinate lyase (EC 4.3.2.2) | protein | 464 | 67% helix, 4% strand | P30566 |
| C | Adenylosuccinate lyase (EC 4.3.2.2) | protein | 453 | 67% helix, 4% strand | P30566 |
| D | Adenylosuccinate lyase (EC 4.3.2.2) | protein | 462 | 68% helix, 4% strand | P30566 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 359 | 0.83 | 0.93 | 35 | empty |
| 2 | 552 | 0.82 | 0.88 | 50 | empty |
| 3 | 788 | 0.81 | 0.84 | 86 | empty |
| 4 | 1084 | 0.80 | 0.82 | 108 | empty |
| 5 | 960 | 0.80 | 0.81 | 86 | empty |
Interfaces
6 interfaces between chains.
- C–D · 3811 Ų buried · 81 hydrogen bonds · protein-protein
- A–B · 3743 Ų buried · 65 hydrogen bonds · protein-protein
- A–D · 2516 Ų buried · 41 hydrogen bonds · protein-protein
- B–C · 2415 Ų buried · 42 hydrogen bonds · protein-protein
- B–D · 1937 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4FLC · Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and… · the same entry in another collection · chain D against D, TM-score 1.00
- P30566 · AlphaFold monomer V2.0 prediction for adenylosuccinate lyase (P30566) · a predicted model of the same protein · chain C 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 P30566
- Elsewhere: RCSB PDB 4FLC · PDBe 4FLC · UniProt P30566
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