MolNFT v1 · #95600 · protein
Crystal structure of pepo from lactobacillus rhamnosis HN001 (DR20)
4IUW · Neutral endopeptidase: “Crystal structure of pepo from lactobacillus rhamnosis HN001 (DR20)”. X-ray diffraction, 5 ligands (OXD, ZN, NA), 8 pockets (best druggability 0.74). MolNFT v1 #95600 on GenesisL1: 3D structure, binding sites…
- PDB
- 4IUW
- Type
- protein
- Length
- 630 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neutral endopeptidase
- EC
- 3.4.24.-
- UniProt
- B5QNF0
- Ligands
- OXD, ZN, NA, CO3, SO4
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neutral endopeptidase (EC 3.4.24.-) | protein | 630 | 58% helix, 8% strand | B5QNF0 |
Ligands and binding sites
- OXD · Oxalic acid · ligand · chains A
- ZN · Zinc ion · metal · chains A
- NA · Sodium ion · metal · chains A
- CO3 · Carbonate ion · ion · 11 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 505 | 0.74 | 0.83 | 76 | CIT, NA |
| 2 | 209 | 0.60 | 0.81 | 30 | empty |
| 3 | 94 | 0.44 | 0.79 | 25 | empty |
| 4 | 51 | 0.42 | 0.83 | 16 | empty |
| 5 | 92 | 0.42 | 0.78 | 16 | CO3 |
Compared structures
- 4IUW · Crystal structure of PEPO from Lactobacillus rhamnosis HN001 (DR20) · 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 B5QNF0
- Elsewhere: RCSB PDB 4IUW · PDBe 4IUW · UniProt B5QNF0
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