MolNFT v1 · #152138 · protein

Crystal structure of SPINDLIN1 in complex with the inhibitor TD001851A

6I8L: “Crystal structure of SPINDLIN1 in complex with the inhibitor TD001851A”. X-ray diffraction, 2 ligands (H7Q, CL). MolNFT v1 #152138 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6I8L
Type: protein
Length: 193 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q9Y657
Ligands: H7Q, CL

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	—	protein	193	—	Q9Y657

Ligands and binding sites

H7Q · 5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine · ligand · chains B
CL · Chloride ion · ion
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains B
MRD · (4R)-2-methylpentane-2,4-diol · additive · chains B
DMS · Dimethyl sulfoxide · additive · chains B

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

Compared structures

6I8L · Crystal structure of Spindlin1 in complex with the inhibitor TD001851a · the same entry in another collection · chain B against B, TM-score 1.00
Q9Y657 · AlphaFold monomer V2.0 prediction for spindlin-1 (Q9Y657) · a predicted model of the same protein · chain B against A, TM-score 0.92

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9Y657
Elsewhere: RCSB PDB 6I8L · PDBe 6I8L · UniProt Q9Y657

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