MolNFT v1 · #149493 · protein
The crystal structure of the burkholderia pseudomallei hicab complex
6G26 · Hicb: “The crystal structure of the burkholderia pseudomallei hicab complex”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.45). MolNFT v1 #149493 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6G26
- Type
- protein
- Length
- 786 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hicb; Hica
- UniProt
- Q63NA5, Q63NA6
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.45
Structure
x-ray diffraction · 4 distinct chains · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hicb | protein | 137 | 47% helix, 21% strand | Q63NA5 |
| B, C, D | Hicb | protein | 136 | 46% helix, 21% strand | Q63NA5 |
| E | Hica | protein | 61 | 33% helix, 28% strand | Q63NA6 |
| F, G, H | Hica | protein | 60 | 35% helix, 30% strand | Q63NA6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, D, B, C
- EDO · 1,2-ethanediol · additive · 18 copies · chains A, F, D, B, E, C, G, H
- PGE · Triethylene glycol · additive · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.45 | 0.79 | 24 | PGE |
| 2 | 136 | 0.43 | 0.76 | 21 | empty |
| 3 | 117 | 0.41 | 0.76 | 27 | EDO |
| 4 | 59 | 0.40 | 0.80 | 11 | empty |
| 5 | 131 | 0.39 | 0.74 | 15 | empty |
Interfaces
8 interfaces between chains.
- B–C · 2046 Ų buried · 31 hydrogen bonds · protein-protein
- A–D · 2023 Ų buried · 30 hydrogen bonds · protein-protein
- B–E · 989 Ų buried · 11 hydrogen bonds · protein-protein
- D–H · 981 Ų buried · 6 hydrogen bonds · protein-protein
- C–G · 980 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6G26 · The crystal structure of the Burkholderia pseudomallei HicAB complex · 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 Q63NA5
- Every structure of UniProt Q63NA6
- Elsewhere: RCSB PDB 6G26 · PDBe 6G26 · UniProt Q63NA5 · UniProt Q63NA6
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