MolNFT v1 · #101241 · protein
Crystal structure of the human ANKS3-SAM/ANKS6-SAM heterodimer
4NL9 · Ankyrin repeat and SAM domain-containing protein 3: “Crystal structure of the human ANKS3-SAM/ANKS6-SAM heterodimer”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.61). MolNFT v1 #101241 on GenesisL1: 3D structure…
- PDB
- 4NL9
- Type
- protein
- Length
- 248 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ankyrin repeat and SAM domain-containing protein 3; Ankyrin repeat and SAM…
- UniProt
- Q6ZW76, Q68DC2
- Ligands
- MG
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 4 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ankyrin repeat and SAM domain-containing protein 3 | protein | 64 | 63% helix, 0% strand | Q6ZW76 |
| B | Ankyrin repeat and SAM domain-containing protein 3 | protein | 63 | 68% helix, 0% strand | Q6ZW76 |
| C | Ankyrin repeat and SAM domain-containing protein 6 | protein | 60 | 70% helix, 0% strand | Q68DC2 |
| D | Ankyrin repeat and SAM domain-containing protein 6 | protein | 61 | 72% helix, 0% strand | Q68DC2 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.61 | 0.85 | 20 | empty |
Interfaces
6 interfaces between chains.
- B–D · 518 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 514 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 504 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 472 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 38 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4NL9 · Crystal structure of the human Anks3-SAM/Anks6-SAM heterodimer · the same entry in another collection · chain D against D, TM-score 1.00
- Q6ZW76 · AlphaFold monomer V2.0 prediction for ankyrin repeat and SAM domain- containing protein 3… · a predicted model of the same protein · chain B against A, TM-score 0.94
- Q68DC2 · AlphaFold monomer V2.0 prediction for ankyrin repeat and SAM domain- containing protein 6… · a predicted model of the same protein · chain C against A, TM-score 0.68
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 Q6ZW76
- Every structure of UniProt Q68DC2
- Elsewhere: RCSB PDB 4NL9 · PDBe 4NL9 · UniProt Q6ZW76 · UniProt Q68DC2
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