MolNFT v1 · #152128 · protein

Crystal structure of SPINDLIN1 in complex with the inhibitor vinspinin

6I8B: “Crystal structure of SPINDLIN1 in complex with the inhibitor vinspinin”. X-ray diffraction, 2 ligands (H7T, PO4). MolNFT v1 #152128 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6I8B
Type: protein
Length: 389 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q9Y657
Ligands: H7T, PO4

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	—	protein	195	—	Q9Y657
E	—	protein	194	—	Q9Y657

Ligands and binding sites

H7T · 2-[4-[2-[[2-[3-[2-azanyl-5-(cyclopropylmethoxy)-3,3-dimethyl-indol-6-yl]oxypropyl]-1,3-dihydroisoindol-5-yl]oxy]ethyl]-1,2,3-triazol-1-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone · ligand · 2 copies · chains B, E
PO4 · Phosphate ion · ion · chains E
DMS · Dimethyl sulfoxide · additive · 5 copies · chains B, E

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

Compared structures

6I8B · Crystal structure of Spindlin1 in complex with the inhibitor VinSpinIn · the same entry in another collection · chain B against B, TM-score 0.99
Q9Y657 · AlphaFold monomer V2.0 prediction for spindlin-1 (Q9Y657) · a predicted model of the same protein · chain E against A, TM-score 0.93

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 6I8B · PDBe 6I8B · UniProt Q9Y657

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