MolNFT v1 · #31088 · protein
Crystal structure of a putative contractile protein (BH3618) from bacillus halodurans at 1.67 a resolution
2AJ7 · Hypothetical protein BH3618: “Crystal structure of a putative contractile protein (BH3618) from bacillus halodurans at 1.67 a resolution”. X-ray diffraction, 2 ligands (NI, K), 3 pockets (best druggability 0.63). MolNFT v1 #31088 on…
- PDB
- 2AJ7
- Type
- protein
- Length
- 305 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein BH3618
- UniProt
- Q9K6V7
- Ligands
- NI, K
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein BH3618 | protein | 157 | 11% helix, 34% strand | Q9K6V7 |
| B | Hypothetical protein BH3618 | protein | 148 | 12% helix, 36% strand | Q9K6V7 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · chains B
- K · Potassium ion · metal · chains B
- EDO · 1,2-ethanediol · additive · 12 copies · chains A, B
- FMT · Formic acid · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.63 | 0.88 | 29 | EDO |
| 2 | 97 | 0.41 | 0.77 | 25 | empty |
| 3 | 53 | 0.29 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 891 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 2AJ7 · Crystal structure of a putative contractile protein (bh3618) from bacillus halodurans at… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9K6V7 · AlphaFold monomer V2.0 prediction for flagellar assembly factor fliw (Q9K6V7) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q9K6V7
- Elsewhere: RCSB PDB 2AJ7 · PDBe 2AJ7 · UniProt Q9K6V7
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