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MolNFT v2 · #153005 · protein

Thrombin in complex with fragment J02

6I51: “Thrombin in complex with fragment J02”. X-ray diffraction at 1.4, 4 ligands (F05, NAG, NA). MolNFT v2 #153005 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6I51
Type
protein
Length
289 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.4
Source
Homo sapiens; SYNTHETIC CONSTRUCT
UniProt
P00734, P09945
Ligands
F05, NAG, NA, PO4

Structure

x-ray diffraction · resolution 1.4 · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
L—protein28—P00734
H—protein250—P00734
I—protein11—P09945

Ligands and binding sites

  • F05 · 1H-isoindol-3-amine · ligand · chains H
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains H
  • NA · Sodium ion · metal · 2 copies · chains H
  • PO4 · Phosphate ion · ion · chains H
  • DMS · Dimethyl sulfoxide · additive · 2 copies · chains H

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6I51 · Thrombin in complex with fragment J02 · the same entry in another collection · chain H against H, TM-score 1.00
  • P09945 · AlphaFold monomer V2.0 prediction for hirudin variant-2 (P09945) · a predicted model of the same protein · chain I against A, TM-score 0.51

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