MolNFT v1 · #120103 · protein + DNA
Structural analysis of fatty acid degradation regulator fadr from bacillus halodurans
5GPC · Transcriptional regulator (TETR/ACRR family): “Structural analysis of fatty acid degradation regulator fadr from bacillus halodurans”. X-ray diffraction, 8 pockets (best druggability 0.85). MolNFT v1 #120103 on GenesisL1: 3D…
- PDB
- 5GPC
- Type
- protein + DNA
- Length
- 802 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator (TETR/ACRR family); DNA (5'…
- UniProt
- Q9K8A4
- Pockets
- 8 · best druggability 0.85
Structure
x-ray diffraction · 4 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Transcriptional regulator (TETR/ACRR family) | protein | 190 | 77% helix, 1% strand | Q9K8A4 |
| B, D | Transcriptional regulator (TETR/ACRR family) | protein | 190 | 77% helix, 1% strand | Q9K8A4 |
| G | DNA (5'- D(P*CP*AP*TP*GP*AP*AP*TP*GP*AP*GP*TP*AP*TP*TP*CP*AP*TP*TP*CP*AP*T)- 3') | dna | 21 | — | — |
| E | DNA (5'- D(P*GP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*AP*CP*TP*CP*AP*TP*TP*CP*AP*T)- 3') | dna | 21 | — | — |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 745 | 0.85 | 0.88 | 65 | empty |
| 2 | 745 | 0.82 | 0.85 | 70 | empty |
| 3 | 122 | 0.77 | 0.96 | 18 | empty |
| 4 | 421 | 0.58 | 0.75 | 43 | empty |
| 5 | 502 | 0.58 | 0.73 | 39 | empty |
Interfaces
11 interfaces between chains.
- C–D · 1850 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1836 Ų buried · 24 hydrogen bonds · protein-protein
- G–E · 914 Ų buried · 80 hydrogen bonds · nucleic-nucleic
- B–E · 321 Ų buried · 6 hydrogen bonds · protein-nucleic
- A–G · 318 Ų buried · 5 hydrogen bonds · protein-nucleic
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 Q9K8A4
- Elsewhere: RCSB PDB 5GPC · PDBe 5GPC · UniProt Q9K8A4
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