MolNFT v1 · #45881 · protein + DNA

Crystal structure of the ETS1 dimer DNA complex.

2NNY · 5'-D(*T*AP*GP*AP*CP*AP*GP*GP*AP*AP*GP*CP*AP*CP*TP*TP*CP*CP*…: “Crystal structure of the ETS1 dimer DNA complex.”. X-ray diffraction, 4 pockets (best druggability 0.72). MolNFT v1 #45881 on GenesisL1: 3D structure, binding sites and…

PDB: 2NNY
Type: protein + DNA
Length: 302 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5'-D(*T*AP*GP*AP*CP*AP*GP*GP*AP*AP*GP*CP*AP*CP*TP*TP*CP*CP* TP*GP*GP*AP*G)-3'…
UniProt: P14921
Pockets: 4 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C	5'-D(TAPGPAPCPAPGPGPAPAPGPCPAPCPTPTPCPCP* TPGPGPAPG)-3'	dna	22	—	—
D	5'-D(ACPTPCPCPAPGPGPAPAPGPTPGPCPTPTPCPCP* TPGPTPCPT)-3'	dna	22	—	—
A, B	C-ets-1 protein	protein	129	44% helix, 9% strand	P14921

Pockets

4 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	490	0.72	0.82	38	empty
2	60	0.29	0.74	16	empty
3	50	0.26	0.74	14	empty
4	56	0.24	0.72	14	empty

Interfaces

6 interfaces between chains.

C–D · 941 Å² buried · 84 hydrogen bonds · nucleic-nucleic
C–B · 550 Å² buried · 8 hydrogen bonds · protein-nucleic
D–A · 536 Å² buried · 7 hydrogen bonds · protein-nucleic
D–B · 437 Å² buried · 11 hydrogen bonds · protein-nucleic
C–A · 429 Å² buried · 12 hydrogen bonds · protein-nucleic

Compared structures

2NNY · Crystal structure of the Ets1 dimer DNA complex. · the same entry in another collection · chain C against C, TM-score 1.00
P14921 · AlphaFold monomer V2.0 prediction for protein C-ets-1 (P14921) · a predicted model of the same protein · chain B against A, TM-score 0.93

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 P14921
Elsewhere: RCSB PDB 2NNY · PDBe 2NNY · UniProt P14921

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