MolNFT v1 · #74724 · protein + DNA
Crystal structure of the P300 TAZ2 domain bound to MEF2 on DNA
3P57 · Myocyte-specific enhancer factor 2A: “Crystal structure of the P300 TAZ2 domain bound to MEF2 on DNA”. X-ray diffraction, 1 ligand (ZN), 19 pockets (best druggability 0.63). MolNFT v1 #74724 on GenesisL1: 3D structure, binding sites…
- PDB
- 3P57
- Type
- protein + DNA
- Length
- 733 residues
- Chains
- 13
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myocyte-specific enhancer factor 2A; DNA (5'-D(*A*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A…
- EC
- 2.3.1.48
- UniProt
- Q02078, Q09472
- Ligands
- ZN
- Pockets
- 19 · best druggability 0.63
Structure
x-ray diffraction · 6 distinct chains · 59% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, I, J | Myocyte-specific enhancer factor 2A | protein | 90 | 51% helix, 16% strand | Q02078 |
| E | DNA (5'-D(*A*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3') | dna | 14 | — | — |
| F, L | DNA (5'-D(*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)- 3') | dna | 15 | — | — |
| G, K | DNA (5'-D(*A*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3') | dna | 15 | — | — |
| H | DNA (5'-D(*TP*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)- 3') | dna | 14 | — | — |
| P | Histone acetyltransferase P300 (EC 2.3.1.48) | protein | 105 | 67% helix, 0% strand | Q09472 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 396 | 0.63 | 0.78 | 40 | empty |
| 2 | 342 | 0.63 | 0.79 | 27 | empty |
| 3 | 450 | 0.61 | 0.76 | 48 | empty |
| 4 | 380 | 0.59 | 0.76 | 42 | empty |
| 5 | 285 | 0.56 | 0.77 | 20 | empty |
Interfaces
24 interfaces between chains.
- A–B · 3093 Ų buried · 35 hydrogen bonds · protein-protein
- I–J · 3053 Ų buried · 38 hydrogen bonds · protein-protein
- C–D · 3051 Ų buried · 37 hydrogen bonds · protein-protein
- G–H · 624 Ų buried · 46 hydrogen bonds · nucleic-nucleic
- E–F · 622 Ų buried · 54 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3P57 · Crystal structure of the p300 TAZ2 domain bound to MEF2 on DNA · the same entry in another collection · chain P against P, 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 Q02078
- Every structure of UniProt Q09472
- Elsewhere: RCSB PDB 3P57 · PDBe 3P57 · UniProt Q02078 · UniProt Q09472
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