MolNFT v1 · #12125 · protein + DNA

Ets-1(331-440)+GGAG duplex

1K7A · DNA (5'- D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*GP*AP*TP*GP*T)-3'): “Ets-1(331-440)+GGAG duplex”. X-ray diffraction, 5 pockets (best druggability 0.50). MolNFT v1 #12125 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1K7A
Type: protein + DNA
Length: 267 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA (5'- D(*TP*AP*GP*TP*GP*CP*CP*GP*GP*AP*GP*AP*TP*GP*T)-3'); DNA (5'…
UniProt: P27577
Pockets: 5 · best druggability 0.50

Structure

x-ray diffraction · 4 distinct chains · 44% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, E	DNA (5'- D(TPAPGPTPGPCPCPGPGPAPGPAPTPGP*T)-3')	dna	15	—	—
C	DNA (5'- D(CPAPCPAPTPCPTPCPCPGPGPCPAPCP*T)-3')	dna	15	—	—
F	DNA (5'- D(CPAPCPAPTPCPTPCPCPGPGPCPAPCP*T)-3')	dna	14	—	—
A, D	C-ets-1 protein	protein	104	44% helix, 12% strand	P27577

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	137	0.50	0.80	16	empty
2	110	0.44	0.78	13	empty
3	78	0.43	0.80	21	empty
4	51	0.35	0.80	16	empty
5	90	0.33	0.74	14	empty

Interfaces

6 interfaces between chains.

E–F · 645 Å² buried · 63 hydrogen bonds · nucleic-nucleic
B–C · 612 Å² buried · 59 hydrogen bonds · nucleic-nucleic
B–A · 501 Å² buried · 10 hydrogen bonds · protein-nucleic
C–A · 500 Å² buried · 8 hydrogen bonds · protein-nucleic
F–D · 487 Å² buried · 10 hydrogen bonds · protein-nucleic

Compared structures

1K7A · Ets-1(331-440)+GGAG duplex · the same entry in another collection · chain D against D, TM-score 1.00
P27577 · AlphaFold monomer V2.0 prediction for protein C-ets-1 (P27577) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P27577
Elsewhere: RCSB PDB 1K7A · PDBe 1K7A · UniProt P27577

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