MolNFT v1 · #166281 · protein
RIP2 kinase catalytic domain complex with (5S,6S,8R)-2- (BENZO[D]THIAZOL-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8- METHANOPYRAZOLO[1,5-A][1,3]DIAZOCINE-3-carboxamide
6UL8: “RIP2 kinase catalytic domain complex with (5S,6S,8R)-2- (BENZO[D]THIAZOL-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro…”. X-ray diffraction, 2 ligands (Q9J, CA). MolNFT v1 #166281 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6UL8
- Type
- protein
- Length
- 562 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O43353
- Ligands
- Q9J, CA
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 279 | — | O43353 |
| B | — | protein | 283 | — | O43353 |
Ligands and binding sites
- Q9J · (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7, 8,9-hexahydro-5,8-methanopyrazolo[1,5-A][1, 3]diazocine-3-carboxamide · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6UL8 · RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-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 O43353
- Elsewhere: RCSB PDB 6UL8 · PDBe 6UL8 · UniProt O43353
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