MolNFT v1 · #101004 · protein
Crystal structure of engineered kumamolisin-as from alicyclobacillus sendaiensis, northeast structural genomics consortium (nesg) target OR367
4NE7: “Crystal structure of engineered kumamolisin-as from alicyclobacillus sendaiensis, northeast structural…”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.36). MolNFT v1 #101004 on GenesisL1: 3D structure, binding…
- PDB
- 4NE7
- Type
- protein
- Length
- 356 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kumamolisin-as
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kumamolisin-as | protein | 356 | 31% helix, 21% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 5 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.36 | 0.73 | 25 | empty |
| 2 | 50 | 0.29 | 0.76 | 16 | empty |
Compared structures
- 4NE7 · Crystal Structure of engineered Kumamolisin-As from Alicyclobacillus sendaiensis… · 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
- Elsewhere: RCSB PDB 4NE7 · PDBe 4NE7
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