MolNFT v1 · #49199 · protein
Crystal structure of SE1688 protein from staphylococcus epidermidis. northeast structural genomics consortium target SER89
2QGS · Protein SE1688: “Crystal structure of SE1688 protein from staphylococcus epidermidis. northeast structural genomics consortium…”. X-ray diffraction, 1 ligand (ZN), 6 pockets (best druggability 0.56). MolNFT v1 #49199 on GenesisL1…
- PDB
- 2QGS
- Type
- protein
- Length
- 408 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein SE1688
- UniProt
- Q8CRP0
- Ligands
- ZN
- Pockets
- 6 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein SE1688 | protein | 209 | 68% helix, 0% strand | Q8CRP0 |
| B | Protein SE1688 | protein | 199 | 69% helix, 0% strand | Q8CRP0 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 323 | 0.56 | 0.76 | 43 | ZN |
| 2 | 100 | 0.39 | 0.76 | 17 | empty |
| 3 | 114 | 0.36 | 0.74 | 25 | empty |
| 4 | 72 | 0.36 | 0.77 | 14 | empty |
| 5 | 55 | 0.31 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1733 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 2QGS · Crystal structure of SE1688 protein from Staphylococcus epidermidis. Northeast Structural… · 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 Q8CRP0
- Elsewhere: RCSB PDB 2QGS · PDBe 2QGS · UniProt Q8CRP0
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