MolNFT v1 · #138710 · protein
Crystal structure of FAM20A in complex with ATP
5WRS · Pseudokinase FAM20A: “Crystal structure of FAM20A in complex with ATP”. X-ray diffraction, 2 ligands (ATP, NAG), 16 pockets (best druggability 0.89). MolNFT v1 #138710 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5WRS
- Type
- protein
- Length
- 866 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pseudokinase FAM20A
- UniProt
- Q96MK3
- Ligands
- ATP, NAG
- Pockets
- 16 · best druggability 0.89
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pseudokinase FAM20A | protein | 431 | 42% helix, 14% strand | Q96MK3 |
| B | Pseudokinase FAM20A | protein | 435 | 41% helix, 14% strand | Q96MK3 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1059 | 0.89 | 0.91 | 126 | ATP |
| 2 | 319 | 0.81 | 0.91 | 47 | empty |
| 3 | 333 | 0.68 | 0.82 | 37 | empty |
| 4 | 71 | 0.67 | 0.93 | 23 | empty |
| 5 | 332 | 0.63 | 0.80 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 2125 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide, 4 glycan (disulfide, N-glycosylation).
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 Q96MK3
- Elsewhere: RCSB PDB 5WRS · PDBe 5WRS · UniProt Q96MK3
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