MolNFT v1 · #77277 · protein + DNA

Crystal structure of a STWHY2 K67A-DT32 complex

3RA0 · WHY2 protein: “Crystal structure of a STWHY2 K67A-DT32 complex”. X-ray diffraction, 2 pockets (best druggability 0.46). MolNFT v1 #77277 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3RA0
Type: protein + DNA
Length: 170 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: WHY2 protein; DNA 32-mer DT32
UniProt: D9J034
Pockets: 2 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	WHY2 protein	protein	161	20% helix, 40% strand	D9J034
B	DNA 32-mer DT32	dna	9	—	—

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	151	0.46	0.77	18	empty
2	52	0.26	0.73	15	empty

Interfaces

1 interface between chains.

A–B · 625 Å² buried · 9 hydrogen bonds · protein-nucleic

Compared structures

3RA0 · Crystal Structure of a StWhy2 K67A-dT32 complex · the same entry in another collection · chain A against A, TM-score 1.00
D9J034 · AlphaFold monomer V2.0 prediction for single-stranded DNA-binding protein WHY2… · a predicted model of the same protein · chain A against A, TM-score 0.97

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 D9J034
Elsewhere: RCSB PDB 3RA0 · PDBe 3RA0 · UniProt D9J034

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