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MolNFT v1 · #159774 · protein

Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl) PHENYL]PIPERIDINE-1-carbonyl}-2-(3'-{4-[3-(aminomethyl) PHENYL]PIPERIDINE-1-carbonyl}-[1,1'-biphenyl]-3-yl)-2-hydroxy-2H-1,3, 2-benzodioxaborol-2-uide

6P0P: “Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)…”. X-ray diffraction, 2 ligands (Y35, SO4). MolNFT v1 #159774 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6P0P
Type
protein
Length
486 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q15661
Ligands
Y35, SO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein243—Q15661

Ligands and binding sites

  • Y35 · (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1, 1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappao)phenyl]methanonato(2-) hydroxyborate(1-) · ligand · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • PGE · Triethylene glycol · additive · 2 copies · chains A, B
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains B

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

Compared structures

  • 6P0P · Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)phenyl]piperidine-1-car… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15661 · AlphaFold monomer V2.0 prediction for tryptase ALPHA/BETA-1 (Q15661) · a predicted model of the same protein · chain A against A, TM-score 1.00

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