MolNFT v1 · #15433 · protein + DNA

A DNA analogue of the polypurine tract of HIV-1

1N4L · 5'-D(*CP*TP*TP*TP*TP*TP*AP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3': “A DNA analogue of the polypurine tract of HIV-1”. X-ray diffraction, 2 pockets (best druggability 0.51). MolNFT v1 #15433 on GenesisL1: 3D structure, binding sites and…

PDB: 1N4L
Type: protein + DNA
Length: 287 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 5'-D(*CP*TP*TP*TP*TP*TP*AP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3'…
EC: 2.7.7.49
UniProt: P03355
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	5'-D(CPTPTPTPTPTPAPAPAPAPGPAPAPAPAPG)-3'	dna	16	—	—
D	5'-D(CPTPTPTPTPCPTPTPTPTPAPAPAPAPAPG)-3'	dna	16	—	—
A	Reverse transcriptase (EC 2.7.7.49)	protein	255	30% helix, 21% strand	P03355

Pockets

2 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	233	0.51	0.76	29	empty
2	71	0.28	0.73	14	empty

Interfaces

3 interfaces between chains.

B–D · 661 Å² buried · 48 hydrogen bonds · nucleic-nucleic
D–A · 209 Å² buried · 4 hydrogen bonds · protein-nucleic
B–A · 205 Å² buried · 5 hydrogen bonds · protein-nucleic

Compared structures

1N4L · A DNA analogue of the polypurine tract of HIV-1 · the same entry in another collection · chain B against B, 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 P03355
Elsewhere: RCSB PDB 1N4L · PDBe 1N4L · UniProt P03355

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