MolNFT v1 · #115312 · protein
Crystal structure of ANT(2")-ia in complex with ampcpp and tobramycin
5CFS · AAD(2''),GENTAMICIN 2''-NUCLEOTIDYLTRANSFERASE,GENTAMICIN…: “Crystal structure of ANT(2")-ia in complex with ampcpp and tobramycin”. X-ray diffraction, 3 ligands (TOY, APC, MN), 2 pockets (best druggability 0.63). MolNFT v1 #115312…
- PDB
- 5CFS
- Type
- protein
- Length
- 176 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AAD(2''),GENTAMICIN 2''-NUCLEOTIDYLTRANSFERASE,GENTAMICIN resistance protein
- UniProt
- Q6X3H6
- Ligands
- TOY, APC, MN
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AAD(2''),GENTAMICIN 2''-NUCLEOTIDYLTRANSFERASE,GENTAMICIN resistance protein | protein | 176 | 48% helix, 23% strand | Q6X3H6 |
Ligands and binding sites
- TOY · Tobramycin · ligand · chains A
- APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · chains A
- MN · Manganese (II) ion · metal · 2 copies · chains A
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains A
- P6G · Hexaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 323 | 0.63 | 0.79 | 34 | MN, TOY, APC |
| 2 | 68 | 0.36 | 0.77 | 17 | PG0 |
Compared structures
- 5CFS · Crystal Structure of ANT(2)-Ia in complex with AMPCPP and tobramycin" · 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 Q6X3H6
- Elsewhere: RCSB PDB 5CFS · PDBe 5CFS · UniProt Q6X3H6
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