MolNFT v1 · #115792 · protein

Bacteroides thetaiotaomicron multiple inositol polyphosphate phosphatase A324D mutant

5CU7 · Multiple inositol polyphosphate histidine phosphatase 1: “Bacteroides thetaiotaomicron multiple inositol polyphosphate phosphatase A324D mutant”. X-ray diffraction, 1 ligand (PO4), 7 pockets (best druggability 0.77). MolNFT v1…

PDB: 5CU7
Type: protein
Length: 792 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multiple inositol polyphosphate histidine phosphatase 1
UniProt: Q89YI8
Ligands: PO4
Pockets: 7 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Multiple inositol polyphosphate histidine phosphatase 1	protein	396	57% helix, 13% strand	Q89YI8

Ligands and binding sites

PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1005	0.77	0.79	85	empty
2	486	0.67	0.78	52	PO4
3	466	0.64	0.77	48	PO4
4	169	0.59	0.82	23	empty
5	52	0.43	0.83	12	empty

Interfaces

1 interface between chains.

A–B · 593 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5CU7 · Bacteroides Thetaiotaomicron Multiple Inositol Polyphosphate Phosphatase A324D Mutant · 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 Q89YI8
Elsewhere: RCSB PDB 5CU7 · PDBe 5CU7 · UniProt Q89YI8

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