MolNFT v1 · #40512 · protein
Crystal structure of human ABH3 in complex with iron ion and 2- oxoglutarate
2IUW · Alkylated repair protein alkb homolog 3: “Crystal structure of human ABH3 in complex with iron ion and 2- oxoglutarate”. X-ray diffraction, 2 ligands (AKG, FE), 1 pocket (best druggability 0.67). MolNFT v1 #40512 on GenesisL1: 3D…
- PDB
- 2IUW
- Type
- protein
- Length
- 205 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alkylated repair protein alkb homolog 3
- EC
- 1.14.11.-
- UniProt
- Q96Q83
- Ligands
- AKG, FE
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alkylated repair protein alkb homolog 3 (EC 1.14.11.-) | protein | 205 | 19% helix, 38% strand | Q96Q83 |
Ligands and binding sites
- AKG · 2-oxoglutaric acid · ligand · chains A
- FE · Fe (III) ion · metal · 3 copies · chains A
- BME · Beta-mercaptoethanol · additive · 4 copies · chains A
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 | 267 | 0.67 | 0.83 | 40 | FE, AKG |
Modifications
Observed in the structure: 3 covalent, 1 modified (additive adduct, nonstandard).
Compared structures
- 2IUW · Crystal structure of human ABH3 in complex with iron ion and 2- oxoglutarate · the same entry in another collection · chain A against A, TM-score 1.00
- Q96Q83 · AlphaFold monomer V2.0 prediction for alpha-ketoglutarate-dependent dioxygenase alkb… · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q96Q83
- Elsewhere: RCSB PDB 2IUW · PDBe 2IUW · UniProt Q96Q83
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