MolNFT v1 · #135161 · protein
CTPRC2 in an autoinhibited conformation bound to S-adenosylmethionine
5TQR · Polycomb protein eed: “CTPRC2 in an autoinhibited conformation bound to S-adenosylmethionine”. X-ray diffraction, 2 ligands (SAM, ZN), 20 pockets (best druggability 0.86). MolNFT v1 #135161 on GenesisL1: 3D structure, binding sites…
- PDB
- 5TQR
- Type
- protein
- Length
- 1,279 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polycomb protein eed; Histone-lysine N-methyltransferase EZH2, polycomb protein SUZ12
- UniProt
- G0S8H7, G0SDW4, G0RYC6
- Ligands
- SAM, ZN
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polycomb protein eed | protein | 470 | 9% helix, 41% strand | G0S8H7 |
| B | Histone-lysine N-methyltransferase EZH2, polycomb protein SUZ12 | protein | 809 | 37% helix, 12% strand | G0SDW4, G0RYC6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 833 | 0.86 | 0.89 | 78 | empty |
| 2 | 1064 | 0.84 | 0.85 | 127 | empty |
| 3 | 612 | 0.83 | 0.88 | 78 | empty |
| 4 | 592 | 0.71 | 0.79 | 61 | empty |
| 5 | 441 | 0.67 | 0.79 | 44 | SAM |
Interfaces
1 interface between chains.
- A–B · 5412 Ų buried · 77 hydrogen bonds · protein-protein
Compared structures
- 5TQR · ctPRC2 in an autoinhibited conformation bound to S-adenosylmethionine · the same entry in another collection · chain A against A, 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 G0S8H7
- Every structure of UniProt G0SDW4
- Every structure of UniProt G0RYC6
- Elsewhere: RCSB PDB 5TQR · PDBe 5TQR · UniProt G0S8H7 · UniProt G0SDW4 · UniProt G0RYC6
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