MolNFT v1 · #152728 · protein
Complex structure of inad PDZ45 and norpa cc-pbm
6IRE · 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase: “Complex structure of inad PDZ45 and norpa cc-pbm”. X-ray diffraction, 4 pockets (best druggability 0.72). MolNFT v1 #152728 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6IRE
- Type
- protein
- Length
- 416 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase…
- EC
- 3.1.4.11
- UniProt
- P13217, Q24008
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase (EC 3.1.4.11) | protein | 223 | 83% helix, 1% strand | P13217 |
| B | Inactivation-no-after-potential D protein | protein | 193 | 14% helix, 34% strand | Q24008 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 714 | 0.72 | 0.78 | 76 | empty |
| 2 | 157 | 0.56 | 0.81 | 31 | empty |
| 3 | 130 | 0.42 | 0.76 | 24 | empty |
| 4 | 74 | 0.30 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1439 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6IRE · Complex structure of INAD PDZ45 and NORPA CC-PBM · the same entry in another collection · chain A against A, TM-score 1.00
- Q24008 · AlphaFold monomer V2.0 prediction for inactivation-no-after-potential D protein (Q24008) · a predicted model of the same protein · chain B against A, TM-score 0.97
- P13217 · AlphaFold monomer V2.0 prediction for 1-phosphatidylinositol 4,5-bisphosphate… · a predicted model of the same protein · chain A against A, TM-score 0.69
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 P13217
- Every structure of UniProt Q24008
- Elsewhere: RCSB PDB 6IRE · PDBe 6IRE · UniProt P13217 · UniProt Q24008
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