MolNFT v1 · #145835 · protein

The KNL1-PP1 holoenzyme

6CZO · SERINE/THREONINE-protein phosphatase PP1-alpha catalytic…: “The KNL1-PP1 holoenzyme”. X-ray diffraction, 2 ligands (MN, PO4), 5 pockets (best druggability 0.52). MolNFT v1 #145835 on GenesisL1: 3D structure, binding sites and…

PDB: 6CZO
Type: protein
Length: 628 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit; CASC5 protein
EC: 3.1.3.16
UniProt: P62136, Q05C46
Ligands: MN, PO4
Pockets: 5 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16)	protein	293	33% helix, 20% strand	P62136
B	CASC5 protein	protein	22	0% helix, 41% strand	Q05C46
D	CASC5 protein	protein	20	0% helix, 30% strand	Q05C46

Ligands and binding sites

MN · Manganese (II) ion · metal · 4 copies · chains A, C
PO4 · Phosphate ion · ion · 2 copies · chains A, 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	197	0.52	0.77	30	empty
2	112	0.38	0.74	23	empty
3	51	0.32	0.77	16	MN, PO4
4	83	0.30	0.73	22	empty
5	51	0.28	0.75	11	empty

Interfaces

6 interfaces between chains.

A–B · 1408 Å² buried · 19 hydrogen bonds · protein-protein
C–D · 1008 Å² buried · 16 hydrogen bonds · protein-protein
B–D · 360 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 342 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 169 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6CZO · The KNL1-PP1 Holoenzyme · the same entry in another collection · chain A against A, 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 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 P62136
Every structure of UniProt Q05C46
Elsewhere: RCSB PDB 6CZO · PDBe 6CZO · UniProt P62136 · UniProt Q05C46

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