MolNFT v1 · #30114 · protein + DNA
Netropsin bound to D(CTTAATTCGAATTAAG) in complex with mmlv rt catalytic fragment
1ZTT · 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3': “Netropsin bound to D(CTTAATTCGAATTAAG) in complex with mmlv rt catalytic fragment”. X-ray diffraction, 1 ligand (NT), 1 pocket (best druggability 0.46). MolNFT v1 #30114 on GenesisL1: 3D structure…
- PDB
- 1ZTT
- Type
- protein + DNA
- Length
- 271 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3'; 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3'; Reverse transcriptase
- EC
- 2.7.7.49
- UniProt
- P03355
- Ligands
- NT
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3' | dna | 8 | — | — |
| G | 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3' | dna | 8 | — | — |
| A | Reverse transcriptase (EC 2.7.7.49) | protein | 255 | 30% helix, 23% strand | P03355 |
Ligands and binding sites
- NT · Netropsin · ligand · chains B, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 162 | 0.46 | 0.75 | 23 | empty |
Interfaces
3 interfaces between chains.
- B–G · 348 Ų buried · 28 hydrogen bonds · nucleic-nucleic
- B–A · 223 Ų buried · 5 hydrogen bonds · protein-nucleic
- G–A · 205 Ų buried · 4 hydrogen bonds · protein-nucleic
Compared structures
- 1ZTT · Netropsin bound to d(CTTAATTCGAATTAAG) in complex 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 1ZTT · PDBe 1ZTT · UniProt P03355
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