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MolNFT v1 · #170499 · protein

Thrombin in complex with D-phe-pro-M-trifluoromethylbenzylamide derivative (PHE2)

6Y9H: “Thrombin in complex with D-phe-pro-M-trifluoromethylbenzylamide derivative (PHE2)”. X-ray diffraction, 4 ligands (OGZ, NAG, NA). MolNFT v1 #170499 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6Y9H
Type
protein
Length
291 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00734, P09945
Ligands
OGZ, NAG, NA, PO4

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
L—protein28—P00734
H—protein250—P00734
I—protein11—P09945
C—protein2——

Ligands and binding sites

  • OGZ · [3-(trifluoromethyl)phenyl]methanamine · ligand · chains H, C
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains H
  • NA · Sodium ion · metal · 2 copies · chains H
  • PO4 · Phosphate ion · ion · 2 copies · chains H
  • DMS · Dimethyl sulfoxide · additive · chains H

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

Compared structures

  • 6Y9H · Thrombin in complex with D-Phe-Pro-m-Trifluoromethylbenzylamide derivative (phe2) · the same entry in another collection · chain L against L, 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 0.50

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