MolNFT v1 · #94960 · protein
Crystal structure of the F495L mutant xiap ring domain
4IC3 · E3 ubiquitin-protein ligase xiap: “Crystal structure of the F495L mutant xiap ring domain”. X-ray diffraction, 2 ligands (ZN, NI), 1 pocket (best druggability 0.62). MolNFT v1 #94960 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4IC3
- Type
- protein
- Length
- 127 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- E3 ubiquitin-protein ligase xiap
- EC
- 6.3.2.-
- UniProt
- P98170
- Ligands
- ZN, NI
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | E3 ubiquitin-protein ligase xiap (EC 6.3.2.-) | protein | 63 | 24% helix, 22% strand | P98170 |
| B | E3 ubiquitin-protein ligase xiap (EC 6.3.2.-) | protein | 64 | 23% helix, 22% strand | P98170 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.62 | 0.84 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 948 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4IC3 · Crystal structure of the F495L mutant XIAP RING domain · 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 P98170
- Elsewhere: RCSB PDB 4IC3 · PDBe 4IC3 · UniProt P98170
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