MolNFT v1 · #10998 · protein
Crystal structure of sure protein from T.MARITIMA in complex with tungstate
1J9K · Stationary phase survival protein: “Crystal structure of sure protein from T.MARITIMA in complex with tungstate”. X-ray diffraction, 2 ligands (CA, WO4), 6 pockets (best druggability 0.45). MolNFT v1 #10998 on GenesisL1: 3D…
- PDB
- 1J9K
- Type
- protein
- Length
- 494 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stationary phase survival protein
- UniProt
- P96112
- Ligands
- CA, WO4
- Pockets
- 6 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Stationary phase survival protein | protein | 247 | 28% helix, 29% strand | P96112 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- WO4 · Tungstate(vi)ion · ion · 2 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.45 | 0.77 | 27 | empty |
| 2 | 131 | 0.41 | 0.75 | 23 | WO4, EPE |
| 3 | 94 | 0.39 | 0.76 | 17 | empty |
| 4 | 120 | 0.39 | 0.74 | 20 | empty |
| 5 | 117 | 0.39 | 0.75 | 24 | WO4, EPE |
Interfaces
1 interface between chains.
- A–B · 289 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1J9K · Crystal structure of sure protein from T.MARITIMA in complex with tungstate · the same entry in another collection · chain A against A, TM-score 1.00
- P96112 · AlphaFold monomer V2.0 prediction for 5'-nucleotidase sure (P96112) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P96112
- Elsewhere: RCSB PDB 1J9K · PDBe 1J9K · UniProt P96112
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