MolNFT v1 · #94769 · protein
Crystal structure of probable 2-pyrone-4,6-dicarboxylic acid hydrolase ABAYE1769 (target efi-505029) from acinetobacter baumannii with citric acid bound
4I6K · Amidohydrolase family protein: “Crystal structure of probable 2-pyrone-4,6-dicarboxylic acid hydrolase ABAYE1769 (target efi-505029) from…”. X-ray diffraction, 2 pockets (best druggability 0.57). MolNFT v1 #94769 on GenesisL1: 3D…
- PDB
- 4I6K
- Type
- protein
- Length
- 267 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amidohydrolase family protein
- UniProt
- B7I8D0
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Amidohydrolase family protein | protein | 267 | 43% helix, 15% strand | B7I8D0 |
Ligands and binding sites
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 214 | 0.57 | 0.79 | 29 | empty |
| 2 | 60 | 0.54 | 0.88 | 19 | CIT |
Compared structures
- 4I6K · Crystal structure of probable 2-PYRONE-4,6-DICARBOXYLIC ACID HYDROLASE ABAYE1769 (TARGET… · 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 B7I8D0
- Elsewhere: RCSB PDB 4I6K · PDBe 4I6K · UniProt B7I8D0
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