MolNFT v1 · #67605 · protein
Structure of ATU2422-GABA receptor in complex with GABA
3IP9 · ABC transporter, substrate binding protein (amino acid): “Structure of ATU2422-GABA receptor in complex with GABA”. X-ray diffraction, 2 ligands (ABU, SO4), 4 pockets (best druggability 0.53). MolNFT v1 #67605 on GenesisL1: 3D…
- PDB
- 3IP9
- Type
- protein
- Length
- 348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter, substrate binding protein (amino acid)
- UniProt
- Q7CX36
- Ligands
- ABU, SO4
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter, substrate binding protein (amino acid) | protein | 348 | 45% helix, 19% strand | Q7CX36 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 69 | 0.53 | 0.86 | 21 | empty |
| 2 | 102 | 0.51 | 0.82 | 25 | ABU |
| 3 | 119 | 0.41 | 0.75 | 20 | empty |
| 4 | 58 | 0.27 | 0.73 | 14 | empty |
Compared structures
- 3IP9 · Structure of Atu2422-GABA receptor in complex with GABA · 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 Q7CX36
- Elsewhere: RCSB PDB 3IP9 · PDBe 3IP9 · UniProt Q7CX36
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