MolNFT v1 · #94485 · protein
Crystal structure of CIAP1 BIR3 bound to T3256336
4HY5 · Baculoviral iap repeat-containing protein 2: “Crystal structure of CIAP1 BIR3 bound to T3256336”. X-ray diffraction, 2 ligands (1AQ, ZN). MolNFT v1 #94485 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HY5
- Type
- protein
- Length
- 185 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Baculoviral iap repeat-containing protein 2
- EC
- 6.3.2.-
- UniProt
- Q13490
- Ligands
- 1AQ, ZN
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Baculoviral iap repeat-containing protein 2 (EC 6.3.2.-) | protein | 95 | 44% helix, 8% strand | Q13490 |
| B | Baculoviral iap repeat-containing protein 2 (EC 6.3.2.-) | protein | 90 | 46% helix, 9% strand | Q13490 |
Ligands and binding sites
- 1AQ · (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-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 · 396 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
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 Q13490
- Elsewhere: RCSB PDB 4HY5 · PDBe 4HY5 · UniProt Q13490
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