MolNFT v1 · #106634 · protein

Native-sad phasing for thit from listeria monocytogenes serovar.

4TKR · Thiamine transporter thia: “Native-sad phasing for thit from listeria monocytogenes serovar.”. X-ray diffraction, 2 ligands (BGL, TPP), 3 pockets (best druggability 0.79). MolNFT v1 #106634 on GenesisL1: 3D structure, binding sites…

PDB: 4TKR
Type: protein
Length: 369 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thiamine transporter thia
UniProt: S5L6I0
Ligands: BGL, TPP
Pockets: 3 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 77% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thiamine transporter thia	protein	183	78% helix, 1% strand	S5L6I0
B	Thiamine transporter thia	protein	186	76% helix, 1% strand	S5L6I0

Ligands and binding sites

BGL · 2-O-octyl-beta-D-glucopyranose · ligand · 15 copies · chains A, B
TPP · Thiamine diphosphate · ligand · 2 copies · chains A, B

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

Pockets

3 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	266	0.79	0.91	35	TPP
2	314	0.74	0.87	33	TPP
3	51	0.27	0.73	12	empty

Interfaces

1 interface between chains.

A–B · 1095 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4TKR · Native-SAD phasing for ThiT from Listeria monocytogenes serovar. · 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 S5L6I0
Elsewhere: RCSB PDB 4TKR · PDBe 4TKR · UniProt S5L6I0

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