MolNFT v1 · #169312 · protein
Crystal structure of tnfalpha with isoquinoline compound 4
6X82: “Crystal structure of tnfalpha with isoquinoline compound 4”. X-ray diffraction, 1 ligand (UTM). MolNFT v1 #169312 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6X82
- Type
- protein
- Length
- 843 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P01375
- Ligands
- UTM
Structure
x-ray diffraction · 6 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 143 | — | P01375 |
| B | — | protein | 139 | — | P01375 |
| C | — | protein | 143 | — | P01375 |
| D | — | protein | 142 | — | P01375 |
| E | — | protein | 136 | — | P01375 |
| F | — | protein | 140 | — | P01375 |
Ligands and binding sites
- UTM · 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl) phenyl]isoquinoline · ligand · 2 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6X82 · Crystal Structure of TNFalpha with isoquinoline compound 4 · 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 P01375
- Elsewhere: RCSB PDB 6X82 · PDBe 6X82 · UniProt P01375
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