MolNFT v1 · #46721 · protein
Human thrombin chimera with human residues 184A, 186, 186A, 186B, 186C and 222 replaced by murine thrombin equivalents.
2OD3 · Thrombin light chain: “Human thrombin chimera with human residues 184A, 186, 186A, 186B, 186C and 222 replaced by murine thrombin…”. X-ray diffraction, 2 ligands (0G6, NAG), 1 pocket (best druggability 0.54). MolNFT v1 #46721 on…
- PDB
- 2OD3
- Type
- protein
- Length
- 277 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thrombin light chain; Thrombin heavy chain
- UniProt
- P00734
- Ligands
- 0G6, NAG
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thrombin light chain | protein | 28 | 36% helix, 0% strand | P00734 |
| B | Thrombin heavy chain | protein | 249 | 14% helix, 35% strand | P00734 |
Ligands and binding sites
- 0G6 · D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide · ligand · chains B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 181 | 0.54 | 0.79 | 30 | 0G6 |
Interfaces
1 interface between chains.
- A–B · 1142 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 covalent, 1 glycan (disulfide, covalent ligand, N-glycosylation).
Compared structures
- 2OD3 · Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced… · the same entry in another collection · chain A against A, TM-score 1.00
- P00734 · AlphaFold monomer V2.0 prediction for prothrombin (P00734) · a predicted model of the same protein · chain B against A, TM-score 0.92
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 P00734
- Elsewhere: RCSB PDB 2OD3 · PDBe 2OD3 · UniProt P00734
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