MolNFT v1 · #50583 · DNA

Solution structure of fully modified 4'-thiodna with the sequence of D(CGCGAATTCGCG)

2RMQ · DNA (5'-D(*(C4S)P*(S4G)P*(C4S)P*(S4G)P*(S4A)P*(S4A)P*(T49)…: “Solution structure of fully modified 4'-thiodna with the sequence of D(CGCGAATTCGCG)”. Solution nmr, 1 pocket (best druggability 0.50). MolNFT v1 #50583 on GenesisL1: 3D…

PDB: 2RMQ
Type: DNA
Length: 24 nucleotides
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA (5'-D(*(C4S)P*(S4G)P*(C4S)P*(S4G)P*(S4A)P*(S4A)P*(T49)…
Pockets: 1 · best druggability 0.50

Structure

solution nmr · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	DNA (5'-D((C4S)P(S4G)P(C4S)P(S4G)P(S4A)P(S4A)P(T49) P(T49)P(C4S)P(S4G)P(C4S)P(S4G))-3')	dna	12	—	—

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	268	0.50	0.75	19	empty

Interfaces

1 interface between chains.

A–B · 603 Å² buried · 113 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 24 modified (nucleotide modification).

Compared structures

2RMQ · Solution structure of fully modified 4'-thioDNA with the sequence of d(CGCGAATTCGCG) · 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
Elsewhere: RCSB PDB 2RMQ · PDBe 2RMQ

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