MolNFT v1 · #171727 · protein

Structure of PP1-PHACTR1 chimera [PP1(7-304) + linker (sgsgs) + PHACTR1(526-580)]

6ZEJ · SERINE/THREONINE-protein phosphatase PP1-alpha catalytic…: “Structure of PP1-PHACTR1 chimera [PP1(7-304) + linker (sgsgs) + PHACTR1(526-580)]”. X-ray diffraction, 1 ligand (MN), 20 pockets (best druggability 0.77). MolNFT v1 #171727…

PDB: 6ZEJ
Type: protein
Length: 2,094 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,PHOSPHATASE and actin…
EC: 3.1.3.16
UniProt: P62136, Q4VY12
Ligands: MN
Pockets: 20 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 36% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D, L	SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,PHOSPHATASE and actin regulator (EC 3.1.3.16)	protein	348	36% helix, 17% strand	P62136, Q4VY12
A, F	SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,PHOSPHATASE and actin regulator (EC 3.1.3.16)	protein	348	36% helix, 18% strand	P62136, Q4VY12
I, O	SERINE/THREONINE-protein phosphatase PP1-alpha catalytic SUBUNIT,PHOSPHATASE and actin regulator (EC 3.1.3.16)	protein	351	36% helix, 17% strand	P62136, Q4VY12

Ligands and binding sites

MN · Manganese (II) ion · metal · 12 copies · chains D, A, F, I, L, O
GOL · Glycerol · additive · 7 copies · chains A, D, F, I, O
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1021	0.77	0.79	79	GOL
2	1078	0.74	0.77	70	empty
3	512	0.73	0.82	57	empty
4	541	0.73	0.81	52	empty
5	459	0.70	0.80	64	empty

Interfaces

8 interfaces between chains.

I–L · 661 Å² buried · 9 hydrogen bonds · protein-protein
D–F · 617 Å² buried · 5 hydrogen bonds · protein-protein
D–L · 361 Å² buried · 0 hydrogen bonds · protein-protein
A–L · 298 Å² buried · 3 hydrogen bonds · protein-protein
D–O · 295 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6ZEJ · Structure of PP1-Phactr1 chimera [PP1(7-304) + linker (SGSGS) + Phactr1(526-580)] · the same entry in another collection · chain L against L, TM-score 1.00
P62136 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase PP1-alpha… · a predicted model of the same protein · chain A against A, TM-score 0.86

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 P62136
Every structure of UniProt Q4VY12
Elsewhere: RCSB PDB 6ZEJ · PDBe 6ZEJ · UniProt P62136 · UniProt Q4VY12

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