MolNFT v1 · #21408 · protein
Crystal structure analysis of the 2-enoyl-CoA hydratase 2 domain of human peroxisomal multifunctional enzyme type 2
1S9C: “Crystal structure analysis of the 2-enoyl-CoA hydratase 2 domain of human peroxisomal multifunctional enzyme…”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #21408 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1S9C
- Type
- protein
- Length
- 3,128 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisomal multifunctional enzyme type 2
- EC
- 4.2.1.-
- UniProt
- P51659
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 12 distinct chains · 24% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 248 | 25% helix, 35% strand | P51659 |
| B | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 245 | 25% helix, 32% strand | P51659 |
| C | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 271 | 24% helix, 34% strand | P51659 |
| D | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 261 | 23% helix, 34% strand | P51659 |
| E | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 243 | 24% helix, 33% strand | P51659 |
| F | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 276 | 22% helix, 33% strand | P51659 |
| G | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 284 | 25% helix, 32% strand | P51659 |
| H | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 250 | 24% helix, 36% strand | P51659 |
| I | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 283 | 24% helix, 33% strand | P51659 |
| J | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 255 | 23% helix, 32% strand | P51659 |
| K | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 256 | 22% helix, 34% strand | P51659 |
| L | Peroxisomal multifunctional enzyme type 2 (EC 4.2.1.-) | protein | 256 | 21% helix, 37% strand | P51659 |
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.81 | 0.83 | 99 | empty |
| 2 | 1118 | 0.80 | 0.82 | 97 | empty |
| 3 | 629 | 0.78 | 0.84 | 62 | empty |
| 4 | 562 | 0.76 | 0.83 | 60 | empty |
| 5 | 525 | 0.73 | 0.81 | 48 | empty |
Interfaces
12 interfaces between chains.
- K–L · 1079 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 1062 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1062 Ų buried · 10 hydrogen bonds · protein-protein
- G–H · 1060 Ų buried · 11 hydrogen bonds · protein-protein
- I–J · 1059 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1S9C · Crystal structure analysis of the 2-enoyl-CoA hydratase 2 domain of human peroxisomal… · the same entry in another collection · chain L against L, 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 P51659
- Elsewhere: RCSB PDB 1S9C · PDBe 1S9C · UniProt P51659
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