MolNFT v1 · #155062 · protein
S. aureus ftsz in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl) PHENYL)OXAZOL-2-YL)ETHOXY)-2,6-difluorobenzamide (compound 2)
6KVP · Cell division protein ftsz: “S. aureus ftsz in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)…”. X-ray diffraction, 3 ligands (GDP, ZI1, CA), 3 pockets (best druggability 0.74). MolNFT v1 #155062 on GenesisL1: 3D structure…
- PDB
- 6KVP
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell division protein ftsz
- UniProt
- P0A031
- Ligands
- GDP, ZI1, CA
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division protein ftsz | protein | 306 | 46% helix, 23% strand | P0A031 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · chains A
- ZI1 · 3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1, 3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 249 | 0.74 | 0.88 | 39 | ZI1 |
| 2 | 225 | 0.60 | 0.81 | 39 | GDP |
| 3 | 122 | 0.48 | 0.79 | 16 | empty |
Compared structures
- 6KVP · S. aureus FtsZ in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxazol-2-yl)etho… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A031 · AlphaFold monomer V2.0 prediction for cell division protein ftsz (P0A031) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 P0A031
- Elsewhere: RCSB PDB 6KVP · PDBe 6KVP · UniProt P0A031
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