MolNFT v1 · #115181 · protein + DNA
ANCSR2 - tslp ngre complex
5CC0 · ANCSR2 DNA binding domain: “ANCSR2 - tslp ngre complex”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.56). MolNFT v1 #115181 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CC0
- Type
- protein + DNA
- Length
- 177 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ANCSR2 DNA binding domain; DNA (5'-D(*CP*GP*CP*CP*TP*CP*CP*GP*GP*GP*AP*GP*AP*GP*CP*T)…
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ANCSR2 DNA binding domain | protein | 73 | 30% helix, 8% strand | — |
| C | DNA (5'-D(*CP*GP*CP*CP*TP*CP*CP*GP*GP*GP*AP*GP*AP*GP*CP*T)- 3') | dna | 16 | — | — |
| D | DNA (5'-D(*AP*GP*CP*TP*CP*TP*CP*CP*CP*GP*GP*AP*GP*GP*CP*G)- 3') | dna | 16 | — | — |
| B | ANCSR2 DNA binding domain | protein | 72 | 31% helix, 11% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 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 | 301 | 0.56 | 0.77 | 24 | empty |
| 2 | 106 | 0.42 | 0.77 | 17 | empty |
| 3 | 131 | 0.39 | 0.74 | 19 | empty |
Interfaces
5 interfaces between chains.
- C–D · 733 Ų buried · 70 hydrogen bonds · nucleic-nucleic
- A–D · 419 Ų buried · 7 hydrogen bonds · protein-nucleic
- A–C · 304 Ų buried · 9 hydrogen bonds · protein-nucleic
- C–B · 292 Ų buried · 6 hydrogen bonds · protein-nucleic
- D–B · 263 Ų buried · 8 hydrogen bonds · protein-nucleic
Compared structures
- 5CC0 · AncSR2 - TSLP nGRE 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
- Elsewhere: RCSB PDB 5CC0 · PDBe 5CC0
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