Research workbench
Crystal structure of human PANK3 in complex with accoa
Analyse Crystal structure of human PANK3 in complex with accoa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2I7P
- Type
- protein
- Length
- 1,403 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantothenate kinase 3
- EC
- 2.7.1.33
- UniProt
- Q9H999
- Ligands
- ACO
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pantothenate kinase 3 (EC 2.7.1.33) | protein | 353 | 46% helix, 24% strand | Q9H999 |
| B | Pantothenate kinase 3 (EC 2.7.1.33) | protein | 354 | 43% helix, 24% strand | Q9H999 |
| C | Pantothenate kinase 3 (EC 2.7.1.33) | protein | 348 | 44% helix, 25% strand | Q9H999 |
| D | Pantothenate kinase 3 (EC 2.7.1.33) | protein | 348 | 45% helix, 26% strand | Q9H999 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 4 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 772 | 0.80 | 0.83 | 89 | empty |
| 2 | 1150 | 0.78 | 0.80 | 111 | ACO |
| 3 | 1147 | 0.77 | 0.79 | 109 | ACO |
| 4 | 637 | 0.77 | 0.83 | 73 | ACO |
| 5 | 948 | 0.77 | 0.79 | 97 | ACO |
Interfaces
3 interfaces between chains.
- A–C · 2031 Ų buried · 24 hydrogen bonds · protein-protein
- B–D · 2004 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 975 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
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 Q9H999
- Elsewhere: RCSB PDB 2I7P · PDBe 2I7P · UniProt Q9H999
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