MolNFT v1 · #155563 · protein + DNA

Crystal structure of FOXO1-dbd homodimer bound to a palindromic DNA sequence

6LBI · IRE0: “Crystal structure of FOXO1-dbd homodimer bound to a palindromic DNA sequence”. X-ray diffraction, 14 pockets (best druggability 0.62). MolNFT v1 #155563 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6LBI
Type: protein + DNA
Length: 598 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: IRE0; Forkhead box protein O1
UniProt: Q12778
Pockets: 14 · best druggability 0.62

Structure

x-ray diffraction · 7 distinct chains · 47% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, E, F, I, J	IRE0	dna	20	—	—
C	Forkhead box protein O1	protein	84	44% helix, 11% strand	Q12778
D	Forkhead box protein O1	protein	81	44% helix, 11% strand	Q12778
G	Forkhead box protein O1	protein	83	47% helix, 11% strand	Q12778
H	Forkhead box protein O1	protein	74	49% helix, 8% strand	Q12778
K	Forkhead box protein O1	protein	80	46% helix, 13% strand	Q12778
L	Forkhead box protein O1	protein	76	50% helix, 16% strand	Q12778

Pockets

14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	306	0.62	0.80	46	empty
2	208	0.57	0.81	24	empty
3	155	0.57	0.83	22	empty
4	104	0.35	0.74	16	empty
5	116	0.34	0.72	18	empty

Interfaces

20 interfaces between chains.

E–F · 880 Å² buried · 76 hydrogen bonds · nucleic-nucleic
A–B · 875 Å² buried · 76 hydrogen bonds · nucleic-nucleic
I–J · 872 Å² buried · 78 hydrogen bonds · nucleic-nucleic
I–K · 543 Å² buried · 12 hydrogen bonds · protein-nucleic
B–D · 483 Å² buried · 7 hydrogen bonds · protein-nucleic

Compared structures

6LBI · Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence · the same entry in another collection · chain L against L, 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 Q12778
Elsewhere: RCSB PDB 6LBI · PDBe 6LBI · UniProt Q12778

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