MolNFT v1 · #19487 · protein
S100C (S100A11),OR calgizzarin, in complex with annexin I N-terminus
1QLS · S100C protein: “S100C (S100A11),OR calgizzarin, in complex with annexin I N-terminus”. X-ray diffraction, 2 ligands (ACE, CA), 2 pockets (best druggability 0.35). MolNFT v1 #19487 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1QLS
- Type
- protein
- Length
- 106 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S100C protein; Annexin I
- UniProt
- P31950, P04083
- Ligands
- ACE, CA
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S100C protein | protein | 95 | 67% helix, 2% strand | P31950 |
| D | Annexin I | protein | 11 | 73% helix, 0% strand | P04083 |
Ligands and binding sites
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 | 74 | 0.35 | 0.75 | 12 | empty |
| 2 | 53 | 0.27 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–D · 443 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1QLS · S100C (S100A11),OR calgizzarin, in complex with annexin I N-terminus · the same entry in another collection · chain A against A, TM-score 1.00
- P31950 · AlphaFold monomer V2.0 prediction for protein S100-A11 (P31950) · a predicted model of the same protein · chain A against A, TM-score 0.96
- P04083 · AlphaFold monomer V2.0 prediction for annexin A1 (P04083) · a predicted model of the same protein · chain D against A, TM-score 0.74
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 P31950
- Every structure of UniProt P04083
- Elsewhere: RCSB PDB 1QLS · PDBe 1QLS · UniProt P31950 · UniProt P04083
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