MolNFT v1 · #149464 · protein
Crystal structure of the N-terminal domain of burkholderia pseudomallei antitoxin hicb
6G1C: “Crystal structure of the N-terminal domain of burkholderia pseudomallei antitoxin hicb”. X-ray diffraction, 5 pockets (best druggability 0.82). MolNFT v1 #149464 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6G1C
- Type
- protein
- Length
- 328 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antitoxin hicb
- UniProt
- Q63NA5
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| V | Antitoxin hicb | protein | 85 | 36% helix, 27% strand | Q63NA5 |
| A | Antitoxin hicb | protein | 76 | 36% helix, 21% strand | Q63NA5 |
| B | Antitoxin hicb | protein | 86 | 34% helix, 28% strand | Q63NA5 |
| C | Antitoxin hicb | protein | 81 | 36% helix, 26% strand | Q63NA5 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 923 | 0.82 | 0.83 | 82 | empty |
| 2 | 440 | 0.72 | 0.82 | 37 | empty |
| 3 | 81 | 0.34 | 0.75 | 19 | empty |
| 4 | 60 | 0.30 | 0.75 | 16 | empty |
| 5 | 55 | 0.26 | 0.73 | 14 | empty |
Interfaces
6 interfaces between chains.
- V–B · 592 Ų buried · 7 hydrogen bonds · protein-protein
- V–A · 485 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 429 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 309 Ų buried · 7 hydrogen bonds · protein-protein
- V–C · 272 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6G1C · Crystal structure of the N-terminal domain of Burkholderia Pseudomallei antitoxin HicB · the same entry in another collection · chain V against V, 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
- Elsewhere: RCSB PDB 6G1C · PDBe 6G1C · UniProt Q63NA5
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