MolNFT v1 · #107106 · protein
Crystal structure of TTHA1159 in complex with ADP
4U00 · Amino acid ABC transporter, ATP-binding protein: “Crystal structure of TTHA1159 in complex with ADP”. X-ray diffraction, 3 ligands (ADP, MG, CL), 1 pocket (best druggability 0.55). MolNFT v1 #107106 on GenesisL1: 3D structure…
- PDB
- 4U00
- Type
- protein
- Length
- 241 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amino acid ABC transporter, ATP-binding protein
- UniProt
- Q5SJ55
- Ligands
- ADP, MG, CL
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amino acid ABC transporter, ATP-binding protein | protein | 241 | 40% helix, 25% strand | Q5SJ55 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.55 | 0.78 | 24 | empty |
Compared structures
- 4U00 · Crystal structure of TTHA1159 in complex with ADP · 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 4U00 · PDBe 4U00 · UniProt Q5SJ55
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