MolNFT v1 · #96593 · protein

Crystal structure of the human NUP49CCS2+3* NUP57CCS3* complex with 2:2 stoichiometry

4JO7 · Nucleoporin P54: “Crystal structure of the human NUP49CCS2+3* NUP57CCS3* complex with 2:2 stoichiometry”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #96593 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4JO7
Type: protein
Length: 493 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleoporin P54; Nucleoporin P58/P45
UniProt: Q7Z3B4, Q9BVL2
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 5 distinct chains · 84% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, H, D, F	Nucleoporin P54	protein	40	78% helix, 0% strand	Q7Z3B4
E	Nucleoporin P58/P45	protein	81	86% helix, 0% strand	Q9BVL2
G	Nucleoporin P58/P45	protein	82	89% helix, 0% strand	Q9BVL2
A	Nucleoporin P58/P45	protein	85	84% helix, 0% strand	Q9BVL2
C	Nucleoporin P58/P45	protein	85	79% helix, 0% strand	Q9BVL2

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	473	0.78	0.86	56	empty
2	352	0.55	0.75	47	empty
3	50	0.43	0.83	16	empty
4	51	0.31	0.77	12	empty

Interfaces

15 interfaces between chains.

B–A · 1338 Å² buried · 10 hydrogen bonds · protein-protein
D–C · 1319 Å² buried · 7 hydrogen bonds · protein-protein
A–C · 1291 Å² buried · 11 hydrogen bonds · protein-protein
H–G · 1289 Å² buried · 7 hydrogen bonds · protein-protein
E–G · 1261 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

4JO7 · Crystal structure of the human Nup49CCS2+3* Nup57CCS3* complex with 2:2 stoichiometry · the same entry in another collection · chain F against F, TM-score 1.00
Q7Z3B4 · AlphaFold monomer V2.0 prediction for nucleoporin P54 (Q7Z3B4) · a predicted model of the same protein · chain B against A, TM-score 0.78
Q9BVL2 · AlphaFold monomer V2.0 prediction for nucleoporin P58/P45 (Q9BVL2) · a predicted model of the same protein · chain G against A, TM-score 0.54

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 Q7Z3B4
Every structure of UniProt Q9BVL2
Elsewhere: RCSB PDB 4JO7 · PDBe 4JO7 · UniProt Q7Z3B4 · UniProt Q9BVL2

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