MolNFT v1 · #107108 · protein
Crystal structure of apo-TTHA1159
4U02 · Amino acid ABC transporter, ATP-binding protein: “Crystal structure of apo-TTHA1159”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.65). MolNFT v1 #107108 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4U02
- Type
- protein
- Length
- 971 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amino acid ABC transporter, ATP-binding protein
- UniProt
- Q5SJ55
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Amino acid ABC transporter, ATP-binding protein | protein | 243 | 41% helix, 25% strand | Q5SJ55 |
| D | Amino acid ABC transporter, ATP-binding protein | protein | 242 | 40% helix, 25% strand | Q5SJ55 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, 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 | 457 | 0.65 | 0.78 | 34 | empty |
| 2 | 485 | 0.64 | 0.77 | 46 | SO4 |
| 3 | 421 | 0.59 | 0.75 | 41 | empty |
| 4 | 224 | 0.56 | 0.78 | 25 | empty |
| 5 | 218 | 0.55 | 0.78 | 21 | empty |
Interfaces
4 interfaces between chains.
- A–B · 638 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 600 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 251 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 15 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4U02 · Crystal structure of apo-TTHA1159 · 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 Q5SJ55
- Elsewhere: RCSB PDB 4U02 · PDBe 4U02 · UniProt Q5SJ55
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