MolNFT v1 · #166979 · protein
Crystal structure of a putative hpce protein from mycobacterium smegmatis
6V77: “Crystal structure of a putative hpce protein from mycobacterium smegmatis”. X-ray diffraction, 2 ligands (ZN, SO4), 3 pockets (best druggability 0.50). MolNFT v1 #166979 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6V77
- Type
- protein
- Length
- 550 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative hpce protein
- UniProt
- A0QTY3
- Ligands
- ZN, SO4
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 21% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative hpce protein | protein | 271 | 20% helix, 34% strand | A0QTY3 |
| B | Putative hpce protein | protein | 279 | 22% helix, 34% strand | A0QTY3 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 7 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.50 | 0.85 | 18 | empty |
| 2 | 118 | 0.43 | 0.77 | 18 | empty |
| 3 | 109 | 0.43 | 0.77 | 24 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1490 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6V77 · Crystal structure of a putative HpcE protein from Mycobacterium smegmatis · 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 A0QTY3
- Elsewhere: RCSB PDB 6V77 · PDBe 6V77 · UniProt A0QTY3
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