MolNFT v1 · #90445 · protein
Crystal structure of a putative zinc-binding dehydrogenase (target psi-012003) from sinorhizobium meliloti 1021 bound to NADP
4EJM: “Crystal structure of a putative zinc-binding dehydrogenase (target psi-012003) from sinorhizobium meliloti…”. X-ray diffraction, 2 ligands (NAP, ZN), 2 pockets (best druggability 0.73). MolNFT v1 #90445 on GenesisL1: 3D structure…
- PDB
- 4EJM
- Type
- protein
- Length
- 342 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative zinc-binding dehydrogenase
- EC
- 1.1.1.-
- UniProt
- Q92PZ3
- Ligands
- NAP, ZN
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative zinc-binding dehydrogenase (EC 1.1.1.-) | protein | 342 | 28% helix, 29% strand | Q92PZ3 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- ZN · Zinc ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 773 | 0.73 | 0.78 | 58 | NAP |
| 2 | 91 | 0.40 | 0.77 | 17 | empty |
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 4EJM · Crystal structure of a putative zinc-binding dehydrogenase (Target PSI-012003) from… · 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 Q92PZ3
- Elsewhere: RCSB PDB 4EJM · PDBe 4EJM · UniProt Q92PZ3
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