MolNFT v1 · #124029 · protein

Crystal structure of M. tuberculosis uspc (tetragonal crystal form)

5K2X · Sugar ABC transporter permease: “Crystal structure of M. tuberculosis uspc (tetragonal crystal form)”. X-ray diffraction, 1 ligand (IOD), 4 pockets (best druggability 0.60). MolNFT v1 #124029 on GenesisL1: 3D structure, binding…

PDB: 5K2X
Type: protein
Length: 414 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sugar ABC transporter permease
UniProt: A0A0T5Y5I3
Ligands: IOD
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sugar ABC transporter permease	protein	414	46% helix, 18% strand	A0A0T5Y5I3

Ligands and binding sites

IOD · Iodide ion · ion · 14 copies · chains A
EDO · 1,2-ethanediol · additive · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A

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

Pockets

4 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	458	0.60	0.75	81	IOD
2	157	0.41	0.74	26	empty
3	68	0.31	0.75	16	EDO, MPD
4	54	0.26	0.73	16	IOD

Compared structures

5K2X · Crystal structure of M. tuberculosis UspC (tetragonal crystal form) · 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 A0A0T5Y5I3
Elsewhere: RCSB PDB 5K2X · PDBe 5K2X · UniProt A0A0T5Y5I3

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