MolNFT v1 · #159729 · protein
Crystal structure of putative exported protein (BPSS2145) from burkholderia pseudomallei K96243
6OZD: “Crystal structure of putative exported protein (BPSS2145) from burkholderia pseudomallei K96243”. X-ray diffraction, 1 ligand (CL), 8 pockets (best druggability 0.70). MolNFT v1 #159729 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6OZD
- Type
- protein
- Length
- 1,043 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative exported protein
- UniProt
- Q63IC6
- Ligands
- CL
- Pockets
- 8 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative exported protein | protein | 520 | 15% helix, 38% strand | Q63IC6 |
| B | Putative exported protein | protein | 523 | 15% helix, 38% strand | Q63IC6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 176 | 0.70 | 0.89 | 37 | EDO |
| 2 | 314 | 0.56 | 0.76 | 39 | EDO |
| 3 | 303 | 0.54 | 0.75 | 40 | EDO |
| 4 | 128 | 0.49 | 0.79 | 20 | EDO |
| 5 | 53 | 0.32 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 535 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6OZD · Crystal structure of Putative exported protein (BPSS2145) 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 Q63IC6
- Elsewhere: RCSB PDB 6OZD · PDBe 6OZD · UniProt Q63IC6
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