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MolNFT v1 · #173041 · protein

Il-17A in complex with small molecule modulators

7AMG: “Il-17A in complex with small molecule modulators”. X-ray diffraction, 1 ligand (RMQ). MolNFT v1 #173041 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7AMG
Type
protein
Length
407 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q16552
Ligands
RMQ

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein102—Q16552
B—protein104—Q16552
C—protein100—Q16552
D—protein101—Q16552

Ligands and binding sites

  • RMQ · (3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl) propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl) oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]b utanoic acid · ligand · 2 copies · chains A, B, C, D

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

Compared structures

  • 7AMG · IL-17A in complex with small molecule modulators · the same entry in another collection · chain D against D, TM-score 1.00
  • Q16552 · AlphaFold monomer V2.0 prediction for interleukin-17A (Q16552) · a predicted model of the same protein · chain C against A, TM-score 0.89

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