MolNFT v1 · #93739 · protein
Crystal structure of abfr of staphylococcus epidermidis
4HBL · Transcriptional regulator, marr family: “Crystal structure of abfr of staphylococcus epidermidis”. X-ray diffraction, 5 pockets (best druggability 0.81). MolNFT v1 #93739 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HBL
- Type
- protein
- Length
- 568 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, marr family
- UniProt
- Q5HKZ1
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 72% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, marr family | protein | 138 | 75% helix, 6% strand | Q5HKZ1 |
| B | Transcriptional regulator, marr family | protein | 141 | 74% helix, 9% strand | Q5HKZ1 |
| C | Transcriptional regulator, marr family | protein | 142 | 72% helix, 8% strand | Q5HKZ1 |
| D | Transcriptional regulator, marr family | protein | 147 | 67% helix, 7% strand | Q5HKZ1 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1144 | 0.81 | 0.82 | 88 | empty |
| 2 | 126 | 0.65 | 0.87 | 21 | empty |
| 3 | 268 | 0.52 | 0.75 | 25 | empty |
| 4 | 222 | 0.48 | 0.74 | 30 | empty |
| 5 | 134 | 0.42 | 0.75 | 19 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3316 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 3175 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 494 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 451 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 282 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 4HBL · Crystal structure of AbfR of Staphylococcus epidermidis · 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 Q5HKZ1
- Elsewhere: RCSB PDB 4HBL · PDBe 4HBL · UniProt Q5HKZ1
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