MolNFT v1 · #78851 · protein
Crystal structure of PBGP3 protein from burkholderia pseudomallei
3SLG: “Crystal structure of PBGP3 protein from burkholderia pseudomallei”. X-ray diffraction, 1 ligand (CL), 20 pockets (best druggability 0.72). MolNFT v1 #78851 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3SLG
- Type
- protein
- Length
- 1,972 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PBGP3 protein
- UniProt
- Q3JRK4
- Ligands
- CL
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E | PBGP3 protein | protein | 334 | 46% helix, 18% strand | Q3JRK4 |
| C | PBGP3 protein | protein | 335 | 44% helix, 19% strand | Q3JRK4 |
| D | PBGP3 protein | protein | 334 | 46% helix, 19% strand | Q3JRK4 |
| F | PBGP3 protein | protein | 301 | 44% helix, 18% strand | Q3JRK4 |
Ligands and binding sites
- CL · Chloride ion · ion · 12 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.72 | 0.81 | 49 | empty |
| 2 | 421 | 0.71 | 0.82 | 49 | empty |
| 3 | 406 | 0.70 | 0.82 | 44 | empty |
| 4 | 408 | 0.69 | 0.81 | 42 | empty |
| 5 | 442 | 0.69 | 0.80 | 47 | empty |
Interfaces
9 interfaces between chains.
- D–E · 1687 Ų buried · 19 hydrogen bonds · protein-protein
- A–F · 1673 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 1669 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 480 Ų buried · 6 hydrogen bonds · protein-protein
- B–E · 477 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3SLG · Crystal structure of PbgP3 protein from Burkholderia pseudomallei · 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 Q3JRK4
- Elsewhere: RCSB PDB 3SLG · PDBe 3SLG · UniProt Q3JRK4
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