MolNFT v1 · #135563 · protein

The crystal structure of TP0737 from treponema pallidum

5U2P · Sugar ABC transporter substrate-binding protein: “The crystal structure of TP0737 from treponema pallidum”. X-ray diffraction, 2 ligands (CL, BR), 6 pockets (best druggability 0.55). MolNFT v1 #135563 on GenesisL1: 3D structure…

PDB: 5U2P
Type: protein
Length: 381 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sugar ABC transporter substrate-binding protein
UniProt: A0A1B3KAD9
Ligands: CL, BR
Pockets: 6 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sugar ABC transporter substrate-binding protein	protein	381	46% helix, 16% strand	A0A1B3KAD9

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A
BR · Bromide ion · ion · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

6 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	55	0.55	0.89	19	empty
2	58	0.46	0.84	17	empty
3	138	0.45	0.77	25	EDO
4	126	0.43	0.76	18	empty
5	100	0.37	0.75	26	empty

Compared structures

5U2P · The crystal structure of Tp0737 from Treponema pallidum · 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 A0A1B3KAD9
Elsewhere: RCSB PDB 5U2P · PDBe 5U2P · UniProt A0A1B3KAD9

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