MolNFT v1 · #147802 · protein
Crystal structure of thrombin in complex with a novel glucose- conjugated potent inhibitor
6EO8: “Crystal structure of thrombin in complex with a novel glucose- conjugated potent inhibitor”. X-ray diffraction, 1 ligand (2FN). MolNFT v1 #147802 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6EO8
- Type
- protein
- Length
- 283 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P00734, P09945
- Ligands
- 2FN
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | — | protein | 26 | — | P00734 |
| H | — | protein | 247 | — | P00734 |
| I | — | protein | 10 | — | P09945 |
Ligands and binding sites
- 2FN · N-(2-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methoxy}-6-[3-(beta-D-glucopyranosyloxy) propoxy]phenyl)-1-(propan-2-yl)piperidine-4-carboxamide · ligand · chains H
- DMS · Dimethyl sulfoxide · additive · 6 copies · chains L, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6EO8 · Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor · the same entry in another collection · chain L against L, 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 P00734
- Every structure of UniProt P09945
- Elsewhere: RCSB PDB 6EO8 · PDBe 6EO8 · UniProt P00734 · UniProt P09945
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