MolNFT v1 · #169008 · protein + RNA
Crystal structure of CA4-activated CARD1
6WXX: “Crystal structure of CA4-activated CARD1”. X-ray diffraction, 1 ligand (MN), 12 pockets (best druggability 0.76). MolNFT v1 #169008 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WXX
- Type
- protein + RNA
- Length
- 1,496 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CARD1; CA4
- UniProt
- F2NWD3
- Ligands
- MN
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, D, C | CARD1 | protein | 372 | 44% helix, 24% strand | F2NWD3 |
| Y, X | CA4 | rna | 4 | — | — |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains B, A, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 930 | 0.76 | 0.79 | 70 | empty |
| 2 | 1178 | 0.74 | 0.77 | 76 | empty |
| 3 | 1072 | 0.71 | 0.75 | 105 | MN |
| 4 | 222 | 0.61 | 0.81 | 23 | empty |
| 5 | 454 | 0.60 | 0.75 | 49 | MN |
Interfaces
9 interfaces between chains.
- B–A · 1767 Ų buried · 22 hydrogen bonds · protein-protein
- D–C · 1761 Ų buried · 19 hydrogen bonds · protein-protein
- C–Y · 585 Ų buried · 11 hydrogen bonds · protein-nucleic
- D–Y · 580 Ų buried · 9 hydrogen bonds · protein-nucleic
- B–X · 575 Ų buried · 10 hydrogen bonds · protein-nucleic
Compared structures
- 6WXX · crystal structure of cA4-activated Card1 · the same entry in another collection · chain B against B, 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 F2NWD3
- Elsewhere: RCSB PDB 6WXX · PDBe 6WXX · UniProt F2NWD3
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