Research workbench

Pi plc mutant H82A

Analyse Pi plc mutant H82A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6S2A
Type: protein
Length: 888 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 1-phosphatidylinositol phosphodiesterase
EC: 4.6.1.13
UniProt: P14262
Ligands: INS
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	1-phosphatidylinositol phosphodiesterase (EC 4.6.1.13)	protein	296	31% helix, 20% strand	P14262

Ligands and binding sites

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

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

Pockets

5 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	920	0.76	0.79	72	INS
2	1089	0.72	0.76	75	empty
3	167	0.51	0.78	28	INS
4	161	0.50	0.78	27	INS
5	146	0.47	0.78	20	empty

Interfaces

3 interfaces between chains.

A–B · 544 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 199 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 110 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6S2A · PI PLC mutant H82A · the same entry in another collection · chain A against A, TM-score 1.00
P14262 · AlphaFold monomer V2.0 prediction for 1-phosphatidylinositol phosphodiesterase (P14262) · a predicted model of the same protein · chain A 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 P14262
Elsewhere: RCSB PDB 6S2A · PDBe 6S2A · UniProt P14262

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