Research workbench
Crystal structure of 5'- cttataaatttataag in a host-guest complex
Analyse Crystal structure of 5'- cttataaatttataag in a host-guest complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XPC
- Type
- protein + DNA
- Length
- 263 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reverse transcriptase; DNA (5'-D(*CP*TP*TP*AP*TP*AP*AP*A)-3'); DNA…
- EC
- 2.7.7.49, 2.7.7.7, 3.1.26.4
- UniProt
- P03355
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Reverse transcriptase (EC 2.7.7.49, 2.7.7.7, 3.1.26.4) | protein | 247 | 31% helix, 22% strand | P03355 |
| B | DNA (5'-D(*CP*TP*TP*AP*TP*AP*AP*A)-3') | dna | 8 | — | — |
| G | DNA (5'-D(P*TP*TP*TP*AP*TP*AP*AP*G)-3') | dna | 8 | — | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
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 | 150 | 0.51 | 0.79 | 23 | EDO |
| 2 | 86 | 0.35 | 0.75 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–G · 361 Ų buried · 31 hydrogen bonds · nucleic-nucleic
- A–B · 264 Ų buried · 6 hydrogen bonds · protein-nucleic
- A–G · 206 Ų buried · 4 hydrogen bonds · protein-nucleic
Compared structures
- 4XPC · Crystal structure of 5'- CTTATAAATTTATAAG in a host-guest complex · 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 P03355
- Elsewhere: RCSB PDB 4XPC · PDBe 4XPC · UniProt P03355
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