Research workbench
S100A13-C2A binary complex structure
Analyse S100A13-C2A binary complex structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2K8M
- Type
- protein
- Length
- 452 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein; Protein S100-A13
- UniProt
- Q6AI31, Q99584
- Pockets
- 7 · best druggability 0.70
Structure
solution nmr · 2 distinct chains · 23% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Putative uncharacterized protein | protein | 128 | 2% helix, 45% strand | Q6AI31 |
| B, C | Protein S100-A13 | protein | 98 | 49% helix, 4% strand | Q99584 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.70 | 0.98 | 23 | empty |
| 2 | 61 | 0.64 | 0.93 | 14 | empty |
| 3 | 269 | 0.58 | 0.78 | 35 | empty |
| 4 | 201 | 0.53 | 0.78 | 24 | empty |
| 5 | 137 | 0.47 | 0.77 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1217 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 557 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 506 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
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 Q6AI31
- Every structure of UniProt Q99584
- Elsewhere: RCSB PDB 2K8M · PDBe 2K8M · UniProt Q6AI31 · UniProt Q99584
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