MolNFT v1 · #86027 · protein
Crystal structure of HSP47
4AU4 · Serpin peptidase inhibitor, clade H (heat shock protein…: “Crystal structure of HSP47”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #86027 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4AU4
- Type
- protein
- Length
- 2,573 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serpin peptidase inhibitor, clade H (heat shock protein 47), member 1, (collagen binding…
- UniProt
- C7C419
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 32% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serpin peptidase inhibitor, clade H (heat shock protein 47), member 1, (collagen binding protein 1) | protein | 366 | 31% helix, 34% strand | C7C419 |
| B | Serpin peptidase inhibitor, clade H (heat shock protein 47), member 1, (collagen binding protein 1) | protein | 368 | 30% helix, 34% strand | C7C419 |
| C | Serpin peptidase inhibitor, clade H (heat shock protein 47), member 1, (collagen binding protein 1) | protein | 370 | 32% helix, 34% strand | C7C419 |
| D | Serpin peptidase inhibitor, clade H (heat shock protein 47), member 1, (collagen binding protein 1) | protein | 366 | 32% helix, 34% strand | C7C419 |
| E | Serpin peptidase inhibitor, clade H (heat shock protein 47), member 1, (collagen binding protein 1) | protein | 367 | 32% helix, 34% strand | C7C419 |
| F, G | Serpin peptidase inhibitor, clade H (heat shock protein 47), member 1, (collagen binding protein 1) | protein | 368 | 32% helix, 34% strand | C7C419 |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1047 | 0.81 | 0.82 | 114 | empty |
| 2 | 688 | 0.78 | 0.83 | 68 | empty |
| 3 | 629 | 0.78 | 0.83 | 83 | empty |
| 4 | 858 | 0.75 | 0.79 | 68 | empty |
| 5 | 645 | 0.75 | 0.81 | 58 | empty |
Interfaces
12 interfaces between chains.
- A–F · 865 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 839 Ų buried · 12 hydrogen bonds · protein-protein
- B–E · 608 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 605 Ų buried · 7 hydrogen bonds · protein-protein
- C–G · 562 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4AU4 · Crystal Structure of Hsp47 · the same entry in another collection · chain B against B, 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
- Every structure of UniProt C7C419
- Elsewhere: RCSB PDB 4AU4 · PDBe 4AU4 · UniProt C7C419
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