MolNFT v1 · #64942 · protein

Crystal structure of apct transporter

3GIA · Uncharacterized protein MJ0609: “Crystal structure of apct transporter”. X-ray diffraction, 2 ligands (D10, BCN), 5 pockets (best druggability 0.57). MolNFT v1 #64942 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3GIA
Type: protein
Length: 433 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein MJ0609
UniProt: Q58026
Ligands: D10, BCN
Pockets: 5 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 82% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein MJ0609	protein	433	82% helix, 0% strand	Q58026

Ligands and binding sites

D10 · Decane · ligand · 6 copies · chains A
BCN · Bicine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	148	0.57	0.82	23	empty
2	118	0.44	0.78	22	empty
3	89	0.42	0.78	17	D10
4	77	0.39	0.76	11	empty
5	57	0.28	0.74	12	empty

Compared structures

3GIA · Crystal Structure of ApcT Transporter · the same entry in another collection · chain A against A, TM-score 1.00
Q58026 · AlphaFold monomer V2.0 prediction for uncharacterized protein MJ0609 (Q58026) · a predicted model of the same protein · chain A 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 Q58026
Elsewhere: RCSB PDB 3GIA · PDBe 3GIA · UniProt Q58026

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