MolNFT v1 · #44120 · protein
Allosteric communication in the kix domain proceeds through dynamic re-packing of the hydrophobic core
2LXT · Creb-binding protein: “Allosteric communication in the kix domain proceeds through dynamic re-packing of the hydrophobic core”. Solution nmr, 4 pockets (best druggability 0.40). MolNFT v1 #44120 on GenesisL1: 3D structure, binding…
- PDB
- 2LXT
- Type
- protein
- Length
- 140 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Creb-binding protein; Histone-lysine N-methyltransferase mll; Cyclic AMP-responsive…
- EC
- 2.3.1.48, 2.1.1.43
- UniProt
- Q92793, Q03164, P16220
- Pockets
- 4 · best druggability 0.40
Structure
solution nmr · 3 distinct chains · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Creb-binding protein (EC 2.3.1.48) | protein | 87 | 76% helix, 0% strand | Q92793 |
| B | Histone-lysine N-methyltransferase mll (EC 2.1.1.43) | protein | 19 | 47% helix, 0% strand | Q03164 |
| C | Cyclic AMP-responsive element-binding protein 1 | protein | 34 | 59% helix, 0% strand | P16220 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.40 | 0.81 | 13 | empty |
| 2 | 114 | 0.38 | 0.75 | 19 | empty |
| 3 | 85 | 0.38 | 0.76 | 14 | empty |
| 4 | 60 | 0.31 | 0.75 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 831 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 636 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 64 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 2LXT · Allosteric communication in the KIX domain proceeds through dynamic re-packing of the… · the same entry in another collection · chain A against A, TM-score 1.00
- Q92793 · AlphaFold monomer V2.0 prediction for creb-binding protein (Q92793) · a predicted model of the same protein · chain A against A, TM-score 0.83
- P16220 · AlphaFold monomer V2.0 prediction for cyclic AMP-responsive element- binding protein 1… · a predicted model of the same protein · chain C against A, TM-score 0.55
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 Q92793
- Every structure of UniProt Q03164
- Every structure of UniProt P16220
- Elsewhere: RCSB PDB 2LXT · PDBe 2LXT · UniProt Q92793 · UniProt Q03164 · UniProt P16220
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