MolNFT v1 · #158983 · protein
Crystal structure of a dual sensor histidine kinase in the green-light absorbing pg state
6OAP: “Crystal structure of a dual sensor histidine kinase in the green-light absorbing pg state”. X-ray diffraction, 2 ligands (CYC, MG), 9 pockets (best druggability 0.74). MolNFT v1 #158983 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6OAP
- Type
- protein
- Length
- 608 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual sensor histidine kinase
- Ligands
- CYC, MG
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual sensor histidine kinase | protein | 305 | 47% helix, 21% strand | — |
| B | Dual sensor histidine kinase | protein | 303 | 47% helix, 23% strand | — |
Ligands and binding sites
- CYC · Phycocyanobilin · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.74 | 0.86 | 31 | CYC |
| 2 | 279 | 0.74 | 0.87 | 32 | CYC |
| 3 | 465 | 0.67 | 0.79 | 57 | MG |
| 4 | 105 | 0.64 | 0.89 | 25 | MG |
| 5 | 177 | 0.45 | 0.74 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1857 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor, 2 disulfide (phycocyanobilin attachment, disulfide).
Compared structures
- 6OAP · Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state · 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 6OAP · PDBe 6OAP
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