MolNFT v1 · #105357 · protein
The crystal structure of stiv B204 complexed with AMP-pnp
4R2I · Stiv B204 ATPase: “The crystal structure of stiv B204 complexed with AMP-pnp”. X-ray diffraction, 2 ligands (ANP, ZN), 2 pockets (best druggability 0.44). MolNFT v1 #105357 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4R2I
- Type
- protein
- Length
- 207 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Stiv B204 ATPase
- Ligands
- ANP, ZN
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Stiv B204 ATPase | protein | 207 | 42% helix, 20% strand | — |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.44 | 0.75 | 19 | empty |
| 2 | 95 | 0.43 | 0.78 | 13 | empty |
Compared structures
- 4R2I · The Crystal Structure of STIV B204 complexed with AMP-PNP · 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
- Elsewhere: RCSB PDB 4R2I · PDBe 4R2I
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