MolNFT v1 · #180130 · protein
1.98 a resolution crystal structure of group a streptococcus H111A hupz-V5-HIS6
7KQ2: “1.98 a resolution crystal structure of group a streptococcus H111A hupz-V5-HIS6”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.60). MolNFT v1 #180130 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KQ2
- Type
- protein
- Length
- 238 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hupz
- EC
- 1.4.3.5
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hupz (EC 1.4.3.5) | protein | 118 | 26% helix, 46% strand | — |
| B | Hupz (EC 1.4.3.5) | protein | 120 | 23% helix, 45% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 108 | 0.60 | 0.86 | 15 | empty |
| 2 | 180 | 0.54 | 0.80 | 29 | SO4 |
| 3 | 191 | 0.47 | 0.75 | 36 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1227 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7KQ2 · 1.98 A resolution crystal structure of Group A Streptococcus H111A HupZ-V5-His6 · 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 7KQ2 · PDBe 7KQ2
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