MolNFT v1 · #115894 · protein

Crystal structure of a multiple inositol polyphosphate phosphatase

5CX4 · Multiple inositol polyphosphate histidine phosphatase 1: “Crystal structure of a multiple inositol polyphosphate phosphatase”. X-ray diffraction, 1 ligand (PO4), 6 pockets (best druggability 0.78). MolNFT v1 #115894 on GenesisL1: 3D…

PDB: 5CX4
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: 6 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Multiple inositol polyphosphate histidine phosphatase 1	protein	396	56% 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

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1195	0.78	0.79	102	empty
2	526	0.68	0.78	50	PO4
3	552	0.67	0.77	49	PO4
4	51	0.44	0.84	12	empty
5	88	0.35	0.75	21	empty

Interfaces

1 interface between chains.

A–B · 567 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

5CX4 · Crystal Structure of a Multiple Inositol Polyphosphate Phosphatase · 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 5CX4 · PDBe 5CX4 · UniProt Q89YI8

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