MolNFT v1 · #85047 · protein + DNA
Structure of HSDDB1-DRDDB2 bound to a 15 bp cpd-duplex (purine at D-1 position) at 3.1 a resolution (cpd 2)
4A09 · DNA damage-binding protein 1: “Structure of HSDDB1-DRDDB2 bound to a 15 bp cpd-duplex (purine at D-1 position) at 3.1 a resolution (cpd 2)”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.88). MolNFT v1 #85047 on…
- PDB
- 4A09
- Type
- protein + DNA
- Length
- 1,488 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA damage-binding protein 1; DNA damage-binding protein 2…
- UniProt
- Q16531, Q2YDS1
- Ligands
- CA
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA damage-binding protein 1 | protein | 1105 | 5% helix, 53% strand | Q16531 |
| B | DNA damage-binding protein 2 | protein | 354 | 8% helix, 45% strand | Q2YDS1 |
| G | 5'-D(*GP*GP*TP*GP*AP*AP*AP*(TTD)P*AP*GP*CP*AP*GP*GP)-3' | dna | 14 | — | — |
| H | 5'-D(*CP*CP*TP*GP*CP*TP*CP*CP*TP*TP*TP*CP*AP*CP*CP*C)-3' | dna | 15 | — | — |
Ligands and binding sites
- CA · Calcium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1028 | 0.88 | 0.89 | 127 | empty |
| 2 | 778 | 0.84 | 0.87 | 85 | empty |
| 3 | 525 | 0.82 | 0.88 | 46 | CA |
| 4 | 137 | 0.79 | 0.97 | 26 | empty |
| 5 | 644 | 0.76 | 0.82 | 61 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1927 Ų buried · 13 hydrogen bonds · protein-protein
- B–G · 669 Ų buried · 10 hydrogen bonds · protein-nucleic
- G–H · 584 Ų buried · 38 hydrogen bonds · nucleic-nucleic
- B–H · 447 Ų buried · 7 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 4A09 · Structure of hsDDB1-drDDB2 bound to a 15 bp CPD-duplex (purine at D-1 position) at 3.1 A… · the same entry in another collection · chain B against B, TM-score 1.00
- Q2YDS1 · AlphaFold monomer V2.0 prediction for DNA damage-binding protein 2 (Q2YDS1) · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q16531 · AlphaFold monomer V2.0 prediction for DNA damage-binding protein 1 (Q16531) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 Q16531
- Every structure of UniProt Q2YDS1
- Elsewhere: RCSB PDB 4A09 · PDBe 4A09 · UniProt Q16531 · UniProt Q2YDS1
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