MolNFT v1 · #95493 · protein

Crystal structure of caulobacter myo-inositol binding protein bound to myo-inositol

4IRX · Sugar ABC transporter, periplasmic sugar-binding protein: “Crystal structure of caulobacter myo-inositol binding protein bound to myo-inositol”. X-ray diffraction, 1 ligand (INS), 1 pocket (best druggability 0.45). MolNFT v1 #95493…

PDB: 4IRX
Type: protein
Length: 592 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sugar ABC transporter, periplasmic sugar-binding protein
UniProt: Q9A9V2
Ligands: INS
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Sugar ABC transporter, periplasmic sugar-binding protein	protein	296	45% helix, 19% strand	Q9A9V2

Ligands and binding sites

INS · 1,2,3,4,5,6-hexahydroxy-cyclohexane · ligand · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	221	0.45	0.73	35	empty

Interfaces

1 interface between chains.

A–B · 285 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

4IRX · Crystal structure of Caulobacter myo-inositol binding protein bound to myo-inositol · 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 Q9A9V2
Elsewhere: RCSB PDB 4IRX · PDBe 4IRX · UniProt Q9A9V2

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