MolNFT v1 · #66681 · protein + DNA

Crystal structure of von willebrand factor (vwf) A1 domain in complex with DNA aptamer ARC1172, an inhibitor of vwf-platelet binding

3HXQ: “Crystal structure of von willebrand factor (vwf) A1 domain in complex with DNA aptamer ARC1172, an inhibitor…”. X-ray diffraction, 2 pockets (best druggability 0.42). MolNFT v1 #66681 on GenesisL1: 3D structure, binding sites and…

PDB: 3HXQ
Type: protein + DNA
Length: 242 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Von willebrand factor; Aptamer ARC1172
UniProt: P04275
Pockets: 2 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Von willebrand factor	protein	201	37% helix, 22% strand	P04275
B	Aptamer ARC1172	dna	41	—	—

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	110	0.42	0.77	17	empty
2	52	0.24	0.73	13	empty

Interfaces

1 interface between chains.

A–B · 1111 Å² buried · 38 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

3HXQ · Crystal Structure of Von Willebrand Factor (VWF) A1 Domain in Complex with DNA Aptamer… · the same entry in another collection · chain A against A, 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 P04275
Elsewhere: RCSB PDB 3HXQ · PDBe 3HXQ · UniProt P04275

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