MolNFT v1 · #42414 · protein
FGF1-S100A13 complex structure: key component in non-classical path way of FGF1
2KI4 · Heparin-binding growth factor 1: “FGF1-S100A13 complex structure: key component in non-classical path way of FGF1”. Solution nmr, 6 pockets (best druggability 0.77). MolNFT v1 #42414 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2KI4
- Type
- protein
- Length
- 462 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heparin-binding growth factor 1; Protein S100-A13
- UniProt
- P05230, Q99584
- Pockets
- 6 · best druggability 0.77
Structure
solution nmr · 2 distinct chains · 29% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Heparin-binding growth factor 1 | protein | 133 | 10% helix, 33% strand | P05230 |
| B, C | Protein S100-A13 | protein | 98 | 54% helix, 4% strand | Q99584 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 638 | 0.77 | 0.82 | 57 | empty |
| 2 | 171 | 0.51 | 0.78 | 20 | empty |
| 3 | 86 | 0.49 | 0.82 | 16 | empty |
| 4 | 53 | 0.29 | 0.75 | 16 | empty |
| 5 | 75 | 0.29 | 0.73 | 13 | empty |
Interfaces
3 interfaces between chains.
- B–C · 960 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 382 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 360 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 d-amino (D-amino acid).
Compared structures
- 2KI4 · FGF1-S100A13 complex structure: key component in non-classical path way of FGF1 · the same entry in another collection · chain A against A, TM-score 1.00
- P05230 · AlphaFold monomer V2.0 prediction for fibroblast growth factor 1 (P05230) · a predicted model of the same protein · chain D against A, TM-score 0.82
- Q99584 · AlphaFold monomer V2.0 prediction for protein S100-A13 (Q99584) · a predicted model of the same protein · chain B against A, TM-score 0.81
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 P05230
- Every structure of UniProt Q99584
- Elsewhere: RCSB PDB 2KI4 · PDBe 2KI4 · UniProt P05230 · UniProt Q99584
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