MolNFT v1 · #72627 · protein
The crystal structure of a domain from N-acetylmuramoyl-L-alanine amidase of bartonella henselae str. houston-1
3NE8: “The crystal structure of a domain from N-acetylmuramoyl-L-alanine amidase of bartonella henselae str.…”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.40). MolNFT v1 #72627 on GenesisL1: 3D structure, binding…
- PDB
- 3NE8
- Type
- protein
- Length
- 226 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylmuramoyl-L-alanine amidase
- UniProt
- Q6G3B2
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylmuramoyl-L-alanine amidase | protein | 226 | 46% helix, 19% strand | Q6G3B2 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- ACT · Acetate ion · additive · 3 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- FMT · Formic 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 80 | 0.40 | 0.78 | 18 | GOL |
| 2 | 59 | 0.30 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 3NE8 · The crystal structure of a domain from N-acetylmuramoyl-l-alanine amidase of Bartonella… · 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 Q6G3B2
- Elsewhere: RCSB PDB 3NE8 · PDBe 3NE8 · UniProt Q6G3B2
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