MolNFT v1 · #64536 · protein
The crystal structure of streptococcus pneumoniae sortase C provides novel insights into catalysis as well as pilin substrate specificity
3G69: “The crystal structure of streptococcus pneumoniae sortase C provides novel insights into catalysis as well as…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.63). MolNFT v1 #64536 on GenesisL1: 3D structure…
- PDB
- 3G69
- Type
- protein
- Length
- 389 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sortase C
- UniProt
- A7KT63
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sortase C | protein | 192 | 22% helix, 33% strand | A7KT63 |
| B | Sortase C | protein | 197 | 23% helix, 32% strand | A7KT63 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 500 | 0.63 | 0.76 | 57 | MES |
| 2 | 124 | 0.40 | 0.75 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 307 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3G69 · The crystal structure of Streptococcus pneumoniae Sortase C provides novel insights into… · 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 A7KT63
- Elsewhere: RCSB PDB 3G69 · PDBe 3G69 · UniProt A7KT63
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