MolNFT v1 · #154649 · protein + DNA
Crystal structure of BCL11A in complex with gamma-globin -115 hpfh region
6KI6 · B-cell LYMPHOMA/LEUKEMIA 11A: “Crystal structure of BCL11A in complex with gamma-globin -115 hpfh region”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.76). MolNFT v1 #154649 on GenesisL1: 3D structure, binding…
- PDB
- 6KI6
- Type
- protein + DNA
- Length
- 185 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- B-cell LYMPHOMA/LEUKEMIA 11A; DNA (5'-D(*AP*TP*AP*TP*TP*GP*GP*TP*CP*AP*AP*GP*G)-3'); DNA…
- UniProt
- Q9H165
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 39% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | B-cell LYMPHOMA/LEUKEMIA 11A | protein | 81 | 42% helix, 15% strand | Q9H165 |
| B | B-cell LYMPHOMA/LEUKEMIA 11A | protein | 52 | 35% helix, 8% strand | Q9H165 |
| C, F | DNA (5'-D(*AP*TP*AP*TP*TP*GP*GP*TP*CP*AP*AP*GP*G)-3') | dna | 13 | — | — |
| D, E | DNA (5'-D(*TP*CP*CP*TP*TP*GP*AP*CP*CP*AP*AP*TP*A)-3') | dna | 13 | — | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 684 | 0.76 | 0.82 | 63 | empty |
| 2 | 70 | 0.43 | 0.81 | 18 | empty |
| 3 | 94 | 0.35 | 0.75 | 16 | empty |
Interfaces
8 interfaces between chains.
- A–C · 601 Ų buried · 15 hydrogen bonds · protein-nucleic
- B–F · 557 Ų buried · 16 hydrogen bonds · protein-nucleic
- C–D · 554 Ų buried · 51 hydrogen bonds · nucleic-nucleic
- E–F · 522 Ų buried · 49 hydrogen bonds · nucleic-nucleic
- A–D · 308 Ų buried · 5 hydrogen bonds · protein-nucleic
Compared structures
- 6KI6 · Crystal structure of BCL11A in complex with gamma-globin -115 HPFH region · the same entry in another collection · chain F against F, TM-score 1.00
- Q9H165 · AlphaFold monomer V2.0 prediction for B-cell LYMPHOMA/LEUKEMIA 11A (Q9H165) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q9H165
- Elsewhere: RCSB PDB 6KI6 · PDBe 6KI6 · UniProt Q9H165
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