MolNFT v1 · #160170 · protein
Mechanism for regulation of DNA binding of bordetella bronchiseptica bpsr by 6-hydroxynicotinic acid
6PCO · Marr-family transcriptional regulator: “Mechanism for regulation of DNA binding of bordetella bronchiseptica bpsr by 6-hydroxynicotinic acid”. X-ray diffraction, 3 pockets (best druggability 0.74). MolNFT v1 #160170 on GenesisL1: 3D…
- PDB
- 6PCO
- Type
- protein
- Length
- 468 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Marr-family transcriptional regulator
- UniProt
- A0A0H3LTT0
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 68% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Marr-family transcriptional regulator | protein | 139 | 67% helix, 8% strand | A0A0H3LTT0 |
| B | Marr-family transcriptional regulator | protein | 135 | 72% helix, 7% strand | A0A0H3LTT0 |
| C | Marr-family transcriptional regulator | protein | 132 | 68% helix, 8% strand | A0A0H3LTT0 |
| D | Marr-family transcriptional regulator | protein | 62 | 65% helix, 0% strand | A0A0H3LTT0 |
Ligands and binding sites
- BU1 · 1,4-butanediol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 827 | 0.74 | 0.78 | 54 | empty |
| 2 | 408 | 0.68 | 0.80 | 49 | empty |
| 3 | 55 | 0.31 | 0.76 | 10 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2554 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 1836 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 609 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 263 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6PCO · Mechanism for regulation of DNA binding of Bordetella bronchiseptica BpsR by… · 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 A0A0H3LTT0
- Elsewhere: RCSB PDB 6PCO · PDBe 6PCO · UniProt A0A0H3LTT0
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