MolNFT v1 · #104862 · protein

Crystal structure of an auxiliary nutrient binding protein (BT3507) from bacteroides thetaiotaomicron vpi-5482 at 2.30 a resolution

4QNI · Uncharacterized protein: “Crystal structure of an auxiliary nutrient binding protein (BT3507) from bacteroides thetaiotaomicron…”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.57). MolNFT v1 #104862 on GenesisL1…

PDB: 4QNI
Type: protein
Length: 321 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: Q8A201
Ligands: CL
Pockets: 4 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein	protein	321	6% helix, 46% strand	Q8A201

Ligands and binding sites

CL · Chloride ion · ion · chains A
EDO · 1,2-ethanediol · additive · 7 copies · chains A
CIT · Citric acid · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	164	0.57	0.81	26	EDO
2	202	0.55	0.79	35	empty
3	95	0.34	0.74	20	empty
4	66	0.28	0.73	14	empty

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

4QNI · Crystal structure of an auxiliary nutrient binding protein (BT3507) from Bacteroides… · 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 Q8A201
Elsewhere: RCSB PDB 4QNI · PDBe 4QNI · UniProt Q8A201

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