Research workbench
Crystal structure of a putative metal-dependent hydrolase (YP_001336084.1) from klebsiella pneumoniae subsp. pneumoniae mgh 78578 at 1.95 a resolution
Analyse Crystal structure of a putative metal-dependent hydrolase (YP_001336084.1) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KHI
- Type
- protein
- Length
- 223 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative metal-dependent hydrolase
- UniProt
- A6TB83
- Ligands
- ZN, CL
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative metal-dependent hydrolase | protein | 223 | 59% helix, 6% strand | A6TB83 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 5 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 | 285 | 0.56 | 0.76 | 34 | EDO |
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3KHI · Crystal structure of a Putative Metal-dependent Hydrolase (YP_001336084.1) from… · the same entry in another collection · chain A against A, TM-score 1.00
- A6TB83 · AlphaFold monomer V2.0 prediction for protein mtfa (A6TB83) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 A6TB83
- Elsewhere: RCSB PDB 3KHI · PDBe 3KHI · UniProt A6TB83
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