MolNFT v1 · #171080 · protein

Human TRPC5 in complex with PICO145 (hc-608)

6YSN · MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,SHORT…: “Human TRPC5 in complex with PICO145 (hc-608)”. Electron microscopy, 1 ligand (PJQ), 20 pockets (best druggability 0.84). MolNFT v1 #171080 on GenesisL1: 3D structure, binding…

PDB: 6YSN
Type: protein
Length: 2,424 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,SHORT transient receptor potential…
UniProt: P0AEX9, Q9UL62
Ligands: PJQ
Pockets: 20 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 56% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,SHORT transient receptor potential channel 5	protein	606	56% helix, 1% strand	P0AEX9, Q9UL62

Ligands and binding sites

PJQ · 7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy) phenoxy]purine-2,6-dione · ligand · 4 copies · chains A, D, B, C

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1189	0.84	0.85	84	empty
2	960	0.80	0.82	60	empty
3	1049	0.80	0.81	65	empty
4	1047	0.80	0.81	65	empty
5	1045	0.80	0.81	64	empty

Interfaces

6 interfaces between chains.

A–B · 4420 Å² buried · 35 hydrogen bonds · protein-protein
C–D · 4411 Å² buried · 34 hydrogen bonds · protein-protein
B–C · 4409 Å² buried · 32 hydrogen bonds · protein-protein
A–D · 4381 Å² buried · 32 hydrogen bonds · protein-protein
A–C · 45 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

6YSN · Human TRPC5 in complex with Pico145 (HC-608) · the same entry in another collection · chain A against A, TM-score 1.00
Q9UL62 · AlphaFold monomer V2.0 prediction for short transient receptor potential channel 5… · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P0AEX9
Every structure of UniProt Q9UL62
Elsewhere: RCSB PDB 6YSN · PDBe 6YSN · UniProt P0AEX9 · UniProt Q9UL62

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