MolNFT v1 · #118708 · protein
Ctx-M-15 in complex with fpi-1523
5FA7 · Beta-lactamase: “Ctx-M-15 in complex with fpi-1523”. X-ray diffraction, 1 ligand (5VR), 3 pockets (best druggability 0.67). MolNFT v1 #118708 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5FA7
- Type
- protein
- Length
- 518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase
- EC
- 3.5.2.6
- UniProt
- Q9EXV5
- Ligands
- 5VR
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase (EC 3.5.2.6) | protein | 260 | 44% helix, 20% strand | Q9EXV5 |
| B | Beta-lactamase (EC 3.5.2.6) | protein | 258 | 43% helix, 20% strand | Q9EXV5 |
Ligands and binding sites
- 5VR · [[(3~{R},6~{S})-6-(acetamidocarbamoyl)-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 602 | 0.67 | 0.77 | 64 | empty |
| 2 | 90 | 0.35 | 0.75 | 20 | 5VR |
| 3 | 99 | 0.35 | 0.75 | 21 | 5VR |
Interfaces
1 interface between chains.
- A–B · 295 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 5FA7 · CTX-M-15 in complex with FPI-1523 · 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 Q9EXV5
- Elsewhere: RCSB PDB 5FA7 · PDBe 5FA7 · UniProt Q9EXV5
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