MolNFT v1 · #110137 · protein

X-ray structure of PEPTST2

4XNJ · Di-or TRIPEPTIDE:H+ symporter: “X-ray structure of PEPTST2”. X-ray diffraction, 2 ligands (78M, PO4), 5 pockets (best druggability 0.78). MolNFT v1 #110137 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4XNJ
Type: protein
Length: 466 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Di-or TRIPEPTIDE:H+ symporter
UniProt: Q5M4H8
Ligands: 78M, PO4
Pockets: 5 · best druggability 0.78

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Di-or TRIPEPTIDE:H+ symporter	protein	466	82% helix, 1% strand	Q5M4H8

Ligands and binding sites

78M · (2S)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate · ligand · 13 copies · chains A
PO4 · Phosphate ion · ion · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	864	0.78	0.81	57	empty
2	447	0.63	0.76	46	78M
3	51	0.46	0.84	15	empty
4	68	0.42	0.80	16	empty
5	64	0.29	0.74	18	empty

Compared structures

4XNJ · X-ray structure of PepTst2 · the same entry in another collection · chain A against A, TM-score 1.00

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 Q5M4H8
Elsewhere: RCSB PDB 4XNJ · PDBe 4XNJ · UniProt Q5M4H8

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