MolNFT v1 · #175565 · protein

The structure of human integrator-PP2A complex

7CUN · Integrator complex subunit 1: “The structure of human integrator-PP2A complex”. Electron microscopy, 2 ligands (ZN, MN), 20 pockets (best druggability 0.86). MolNFT v1 #175565 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7CUN
Type: protein
Length: 8,142 residues
Chains: 12
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Integrator complex subunit 1; Integrator complex subunit 2; Integrator complex subunit 4…
EC: 3.1.27.-, 3.1.3.16
UniProt: Q8N201, Q9H0H0, Q96HW7, Q6P9B9, Q9UL03, Q9NVH2, Q75QN2, Q9NV88, Q5TA45, P30153, P67775
Ligands: ZN, MN
Pockets: 20 · best druggability 0.86

Structure

electron microscopy · 12 distinct chains · 51% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Integrator complex subunit 1	protein	730	64% helix, 0% strand	Q8N201
B	Integrator complex subunit 2	protein	1058	62% helix, 0% strand	Q9H0H0
D	Integrator complex subunit 4	protein	827	51% helix, 5% strand	Q96HW7
E	Integrator complex subunit 5	protein	796	63% helix, 1% strand	Q6P9B9
F	Integrator complex subunit 6	protein	534	22% helix, 10% strand	Q9UL03
G	Integrator complex subunit 7	protein	895	60% helix, 4% strand	Q9NVH2
H	Integrator complex subunit 8	protein	912	60% helix, 0% strand	Q75QN2
I	Integrator complex subunit 9	protein	624	19% helix, 11% strand	Q9NV88
K	Integrator complex subunit 11 (EC 3.1.27.-)	protein	588	25% helix, 15% strand	Q5TA45
P	PP2A-a	protein	582	67% helix, 0% strand	P30153
Q	PP2A-C (EC 3.1.3.16)	protein	293	32% helix, 18% strand	P67775
U	Unknown	protein	303	58% helix, 0% strand	—

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains K
MN · Manganese (II) ion · metal · 2 copies · chains Q

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1164	0.86	0.87	111	empty
2	672	0.86	0.90	95	empty
3	556	0.86	0.91	90	empty
4	956	0.85	0.86	125	empty
5	823	0.85	0.87	105	empty

Interfaces

27 interfaces between chains.

E–H · 5341 Å² buried · 39 hydrogen bonds · protein-protein
B–G · 3635 Å² buried · 23 hydrogen bonds · protein-protein
I–K · 2776 Å² buried · 38 hydrogen bonds · protein-protein
D–G · 2653 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 2612 Å² buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 modified (engineered).

Compared structures

7CUN · The structure of human Integrator-PP2A complex · the same entry in another collection · chain H against H, 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 Q8N201
Every structure of UniProt Q9H0H0
Every structure of UniProt Q96HW7
Every structure of UniProt Q6P9B9
Every structure of UniProt Q9UL03
Every structure of UniProt Q9NVH2
Every structure of UniProt Q75QN2
Every structure of UniProt Q9NV88
Every structure of UniProt Q5TA45
Every structure of UniProt P30153
Every structure of UniProt P67775
Elsewhere: RCSB PDB 7CUN · PDBe 7CUN · UniProt Q8N201 · UniProt Q9H0H0 · UniProt Q96HW7 · UniProt Q6P9B9 · UniProt Q9UL03 · UniProt Q9NVH2 · UniProt Q75QN2 · UniProt Q9NV88 · UniProt Q5TA45 · UniProt P30153 · UniProt P67775

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