MolNFT v1 · #42179 · protein
Solution structure and dynamics of S100A5 in the apo and CA2+ -bound states
2KAX · Protein S100-A5: “Solution structure and dynamics of S100A5 in the apo and CA2+ -bound states”. Solution nmr, 2 pockets (best druggability 0.45). MolNFT v1 #42179 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2KAX
- Type
- protein
- Length
- 184 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein S100-A5
- UniProt
- P33763
- Pockets
- 2 · best druggability 0.45
Structure
solution nmr · 1 distinct chain · 58% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein S100-A5 | protein | 92 | 58% helix, 7% strand | P33763 |
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 | 71 | 0.45 | 0.81 | 15 | empty |
| 2 | 56 | 0.29 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1565 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2KAX · Solution structure and dynamics of S100A5 in the apo and Ca2+ -bound states · the same entry in another collection · chain A against A, TM-score 1.00
- P33763 · AlphaFold monomer V2.0 prediction for protein S100-A5 (P33763) · a predicted model of the same protein · chain A against A, TM-score 0.60
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 P33763
- Elsewhere: RCSB PDB 2KAX · PDBe 2KAX · UniProt P33763
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