Research workbench
Crystal structure of a probable metal-dependent hydrolase from staphylococcus aureus. northeast structural genomics target ZR314
Analyse Crystal structure of a probable metal-dependent hydrolase from staphylococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ESH
- Type
- protein
- Length
- 827 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein similar to metal-dependent hydrolase
- UniProt
- Q99TB7
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein similar to metal-dependent hydrolase | protein | 277 | 25% helix, 25% strand | Q99TB7 |
| B, C | Protein similar to metal-dependent hydrolase | protein | 275 | 26% helix, 28% strand | Q99TB7 |
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 337 | 0.67 | 0.81 | 36 | empty |
| 2 | 307 | 0.66 | 0.82 | 39 | empty |
| 3 | 312 | 0.60 | 0.78 | 31 | empty |
| 4 | 375 | 0.59 | 0.76 | 28 | empty |
| 5 | 87 | 0.55 | 0.85 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1033 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 469 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 149 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 27 modified (engineered).
Compared structures
- 3ESH · Crystal structure of a probable metal-dependent hydrolase from Staphylococcus aureus.… · 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 Q99TB7
- Elsewhere: RCSB PDB 3ESH · PDBe 3ESH · UniProt Q99TB7
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