MolNFT v1 · #172473 · protein
Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, LMC375
7A3I: “Crystal structure of DPP8 in complex with a 4-oxo-B-lactam based inhibitor, LMC375”. X-ray diffraction, 4 ligands (TMO, QXH, NA). MolNFT v1 #172473 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7A3I
- Type
- protein
- Length
- 2,423 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q6V1X1
- Ligands
- TMO, QXH, NA, CL
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 807 | — | Q6V1X1 |
| B | — | protein | 808 | — | Q6V1X1 |
| C | — | protein | 808 | — | Q6V1X1 |
Ligands and binding sites
- TMO · trimethylamine oxide · ligand · 3 copies · chains A, B, C
- QXH · ~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide · ligand · 3 copies · chains A, B, C
- NA · Sodium ion · metal · 3 copies · chains A, B, C
- CL · Chloride ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7A3I · Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, LMC375 · the same entry in another collection · chain A against A, TM-score 1.00
- Q6V1X1 · AlphaFold monomer V2.0 prediction for dipeptidyl peptidase 8 (Q6V1X1) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q6V1X1
- Elsewhere: RCSB PDB 7A3I · PDBe 7A3I · UniProt Q6V1X1
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