MolNFT v1 · #49911 · protein + DNA
CO(III)BLEOMYCINB2 bound to D(ATTAGTTATAACTAAT) complexed with mmlv rt catalytic fragment
2R2S · DNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DT)-3'): “CO(III)BLEOMYCINB2 bound to D(ATTAGTTATAACTAAT) complexed with mmlv rt catalytic fragment”. X-ray diffraction, 2 ligands (BLB, 3CO), 2 pockets (best druggability 0.51). MolNFT v1 #49911…
- PDB
- 2R2S
- Type
- protein + DNA
- Length
- 270 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DT)-3'); DNA…
- EC
- 2.7.7.49
- UniProt
- P03355
- Ligands
- BLB, 3CO
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | DNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DT)-3') | dna | 7 | — | — |
| G | DNA (5'-D(P*DTP*DAP*DAP*DCP*DTP*DAP*DAP*DT)-3') | dna | 8 | — | — |
| A | Reverse transcriptase (EC 2.7.7.49) | protein | 255 | 33% helix, 23% strand | P03355 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.51 | 0.77 | 21 | empty |
| 2 | 76 | 0.35 | 0.76 | 17 | empty |
Interfaces
3 interfaces between chains.
- B–G · 321 Ų buried · 35 hydrogen bonds · nucleic-nucleic
- B–A · 254 Ų buried · 4 hydrogen bonds · protein-nucleic
- G–A · 187 Ų buried · 2 hydrogen bonds · protein-nucleic
Compared structures
- 2R2S · Co(III)bleomycinB2 bound to d(ATTAGTTATAACTAAT) complexed with MMLV RT catalytic fragment · 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 P03355
- Elsewhere: RCSB PDB 2R2S · PDBe 2R2S · UniProt P03355
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