MolNFT v1 · #54022 · protein
Crystal structure of pcrh in complex with the chaperone binding region of popd
2XCB · Regulatory protein pcrh: “Crystal structure of pcrh in complex with the chaperone binding region of popd”. X-ray diffraction, 1 ligand (NO3), 3 pockets (best druggability 0.70). MolNFT v1 #54022 on GenesisL1: 3D structure, binding…
- PDB
- 2XCB
- Type
- protein
- Length
- 273 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Regulatory protein pcrh; Pepd
- UniProt
- Q9I325, O50280
- Ligands
- NO3
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Regulatory protein pcrh | protein | 133 | 80% helix, 0% strand | Q9I325 |
| B | Regulatory protein pcrh | protein | 132 | 77% helix, 0% strand | Q9I325 |
| C | Pepd | protein | 8 | 0% helix, 0% strand | O50280 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 603 | 0.70 | 0.78 | 46 | empty |
| 2 | 81 | 0.43 | 0.80 | 20 | empty |
| 3 | 52 | 0.29 | 0.74 | 11 | empty |
Interfaces
2 interfaces between chains.
- A–B · 756 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 534 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2XCB · Crystal structure of PcrH in complex with the chaperone binding region of PopD · 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 Q9I325
- Every structure of UniProt O50280
- Elsewhere: RCSB PDB 2XCB · PDBe 2XCB · UniProt Q9I325 · UniProt O50280
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