MolNFT v1 · #165345 · protein

Crystal structure of DPP8 in complex with 1G244

6TRX: “Crystal structure of DPP8 in complex with 1G244”. X-ray diffraction, 4 ligands (TMO, 9XH, NA). MolNFT v1 #165345 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6TRX
Type: protein
Length: 2,523 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q6V1X1
Ligands: TMO, 9XH, NA, PO4

Structure

x-ray diffraction · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	—	protein	839	—	Q6V1X1
A	—	protein	843	—	Q6V1X1
C	—	protein	841	—	Q6V1X1

Ligands and binding sites

TMO · trimethylamine oxide · ligand · 3 copies · chains B, C, A
9XH · (2~{S})-2-azanyl-4-[4-[bis(4-fluorophenyl) methyl]piperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl) butane-1,4-dione · ligand · 3 copies · chains B, A, C
NA · Sodium ion · metal · 3 copies · chains B, A, C
PO4 · Phosphate ion · ion · 3 copies · chains B, A, C

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

Compared structures

6TRX · Crystal structure of DPP8 in complex with 1G244 · the same entry in another collection · chain B against B, TM-score 1.00
Q6V1X1 · AlphaFold monomer V2.0 prediction for dipeptidyl peptidase 8 (Q6V1X1) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q6V1X1
Elsewhere: RCSB PDB 6TRX · PDBe 6TRX · UniProt Q6V1X1

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