MolNFT v1 · #66225 · protein
Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric unit)
3HK3 · Thrombin light chain: “Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric unit)”. X-ray diffraction, 3 pockets (best druggability 0.51). MolNFT v1 #66225 on GenesisL1: 3D structure, binding sites…
- PDB
- 3HK3
- Type
- protein
- Length
- 282 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thrombin light chain; Thrombin heavy chain
- EC
- 3.4.21.5
- UniProt
- P19221
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thrombin light chain (EC 3.4.21.5) | protein | 30 | 30% helix, 0% strand | P19221 |
| B | Thrombin heavy chain (EC 3.4.21.5) | protein | 252 | 17% helix, 34% strand | P19221 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 212 | 0.51 | 0.76 | 41 | empty |
| 2 | 90 | 0.35 | 0.75 | 19 | empty |
| 3 | 66 | 0.31 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1194 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3HK3 · Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric… · the same entry in another collection · chain A against A, TM-score 1.00
- P19221 · AlphaFold monomer V2.0 prediction for prothrombin (P19221) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P19221
- Elsewhere: RCSB PDB 3HK3 · PDBe 3HK3 · UniProt P19221
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