Research workbench
Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound
Analyse Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EYL
- Type
- protein
- Length
- 202 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 3
- Source
- Homo sapiens
- Molecule
- Baculoviral IAP repeat-containing protein 4
- EC
- 6.3.2.-
- UniProt
- P98170
- Ligands
- SMK, ZN
Structure
x-ray diffraction · resolution 3 · 1 distinct chain · 48% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Baculoviral IAP repeat-containing protein 4 (EC 6.3.2.-) | protein | 101 | 48% helix, 8% strand | P98170 |
Ligands and binding sites
- SMK · (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 469 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3EYL · Crystal structure of xiap BIR3 domain in complex with a smac-mimetic compound · the same entry in another collection · chain A against A, TM-score 1.00
- P98170 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase xiap (P98170) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P98170
- Elsewhere: RCSB PDB 3EYL · PDBe 3EYL · UniProt P98170
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