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MolNFT v1 · #163909 · protein

Human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to H57

6SHH: “Human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to H57”. X-ray diffraction, 2 ligands (SH7, SO4). MolNFT v1 #163909 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6SHH
Type
protein
Length
1,792 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P49862
Ligands
SH7, SO4

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H—protein224—P49862

Ligands and binding sites

  • SH7 · (3-chlorophenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate · ligand · 8 copies · chains A, B, C, E, D, H, F, G
  • SO4 · Sulfate ion · ion · 83 copies · chains A, D, B, H, C, E, G, F
  • PGE · Triethylene glycol · additive · 4 copies · chains A, C, D, F, B, E, H
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains G, A, H

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

Compared structures

  • 6SHH · Human kallikrein 7 with aromatic coumarinic ester compound 1 covalently bound to H57 · the same entry in another collection · chain H against H, TM-score 1.00
  • P49862 · AlphaFold monomer V2.0 prediction for kallikrein-7 (P49862) · a predicted model of the same protein · chain A against A, TM-score 0.99

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