MolNFT v1 · #26253 · protein

Solution structure of H12C mutant of the N-terminal zn binding domain of HIV-1 integrase complexed to cadmium, NMR, 40 structures

1WJF: “Solution structure of H12C mutant of the N-terminal zn binding domain of HIV-1 integrase complexed to…”. Solution nmr, 1 ligand (CD), 2 pockets (best druggability 0.33). MolNFT v1 #26253 on GenesisL1: 3D structure, binding sites and…

PDB: 1WJF
Type: protein
Length: 110 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HIV-1 integrase
UniProt: P04587
Ligands: CD
Pockets: 2 · best druggability 0.33

Structure

solution nmr · 1 distinct chain · 55% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	HIV-1 integrase	protein	55	55% helix, 0% strand	P04587

Ligands and binding sites

CD · Cadmium ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

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	73	0.33	0.75	13	empty
2	60	0.30	0.75	12	empty

Interfaces

1 interface between chains.

A–B · 589 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

1WJF · Solution structure of H12C mutant of the N-terminal zn binding domain of HIV-1 integrase… · 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 P04587
Elsewhere: RCSB PDB 1WJF · PDBe 1WJF · UniProt P04587

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.