MolNFT v1 · #173327 · protein + DNA
Ccaat-binding complex and hapx bound to aspergillus nidulans ccca DNA
7AW7 · Hapb: “Ccaat-binding complex and hapx bound to aspergillus nidulans ccca DNA”. X-ray diffraction, 2 ligands (NA, CL), 7 pockets (best druggability 0.81). MolNFT v1 #173327 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7AW7
- Type
- protein + DNA
- Length
- 502 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hapb; Transcription factor hapc (eurofung); CBFD_NFYB_HMF domain-containing protein; Bzip…
- UniProt
- G5EAZ0, Q5B5Z6, Q5AYY8, G5EAX9
- Ligands
- NA, CL
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 7 distinct chains · 68% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hapb | protein | 58 | 50% helix, 3% strand | G5EAZ0 |
| B | Transcription factor hapc (eurofung) | protein | 92 | 74% helix, 4% strand | Q5B5Z6 |
| C | CBFD_NFYB_HMF domain-containing protein | protein | 117 | 56% helix, 3% strand | Q5AYY8 |
| D | Bzip domain-containing protein | protein | 93 | 71% helix, 0% strand | G5EAX9 |
| E | Bzip domain-containing protein | protein | 68 | 93% helix, 0% strand | G5EAX9 |
| F | DNA | dna | 37 | — | — |
| G | DNA | dna | 37 | — | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.81 | 0.83 | 82 | empty |
| 2 | 753 | 0.73 | 0.79 | 51 | empty |
| 3 | 715 | 0.69 | 0.76 | 37 | empty |
| 4 | 162 | 0.52 | 0.79 | 25 | empty |
| 5 | 186 | 0.50 | 0.76 | 22 | NA |
Interfaces
18 interfaces between chains.
- B–C · 2976 Ų buried · 24 hydrogen bonds · protein-protein
- F–G · 1598 Ų buried · 149 hydrogen bonds · nucleic-nucleic
- D–E · 1322 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 845 Ų buried · 12 hydrogen bonds · protein-protein
- D–F · 675 Ų buried · 11 hydrogen bonds · protein-nucleic
Compared structures
- 7AW7 · CCAAT-binding complex and HapX bound to Aspergillus nidulans cccA DNA · 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 G5EAZ0
- Every structure of UniProt Q5B5Z6
- Every structure of UniProt Q5AYY8
- Every structure of UniProt G5EAX9
- Elsewhere: RCSB PDB 7AW7 · PDBe 7AW7 · UniProt G5EAZ0 · UniProt Q5B5Z6 · UniProt Q5AYY8 · UniProt G5EAX9
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