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Crystal structure of human inorganic pyrophosphatase

Analyse Crystal structure of human inorganic pyrophosphatase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7CMO
Type: protein
Length: 1,120 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inorganic pyrophosphatase
EC: 3.6.1.1
UniProt: Q15181
Pockets: 18 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 21% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inorganic pyrophosphatase (EC 3.6.1.1)	protein	281	21% helix, 27% strand	Q15181
B	Inorganic pyrophosphatase (EC 3.6.1.1)	protein	284	20% helix, 26% strand	Q15181
C	Inorganic pyrophosphatase (EC 3.6.1.1)	protein	276	20% helix, 25% strand	Q15181
D	Inorganic pyrophosphatase (EC 3.6.1.1)	protein	279	21% helix, 27% strand	Q15181

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	520	0.67	0.78	48	empty
2	289	0.63	0.80	37	empty
3	234	0.56	0.78	34	empty
4	217	0.54	0.78	37	empty
5	214	0.53	0.77	34	empty

Interfaces

4 interfaces between chains.

A–B · 1027 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 995 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 221 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 36 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7CMO · Crystal structure of human inorganic pyrophosphatase · the same entry in another collection · chain D against D, TM-score 1.00
Q15181 · AlphaFold monomer V2.0 prediction for inorganic pyrophosphatase (Q15181) · a predicted model of the same protein · chain D against A, TM-score 0.99

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 Q15181
Elsewhere: RCSB PDB 7CMO · PDBe 7CMO · UniProt Q15181

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