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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThrombin light chainprotein2836% helix, 0% strandP00734
BThrombin heavy chainprotein24914% helix, 35% strandP00734

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11810.540.79300G6

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

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