MolNFT v1 · #19187 · protein

Solution NMR structure of ectodomain of SIV GP41, restrained regularized mean structure plus 29 simulated annealing structures

1QCE · Protein (GP41): “Solution NMR structure of ectodomain of SIV GP41, restrained regularized mean structure plus 29 simulated…”. Solution nmr, 1 pocket (best druggability 0.50). MolNFT v1 #19187 on GenesisL1: 3D structure, binding…

PDB: 1QCE
Type: protein
Length: 369 residues
Chains: 3
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (GP41)
UniProt: Q88031
Pockets: 1 · best druggability 0.50

Structure

solution nmr · 1 distinct chain · 75% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Protein (GP41)	protein	123	75% helix, 2% strand	Q88031

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	51	0.50	0.87	12	empty

Interfaces

3 interfaces between chains.

A–C · 2050 Å² buried · 29 hydrogen bonds · protein-protein
A–B · 2050 Å² buried · 29 hydrogen bonds · protein-protein
B–C · 2043 Å² buried · 29 hydrogen bonds · protein-protein

Compared structures

1QCE · Solution NMR structure of ectodomain of SIV GP41, restrained regularized mean structure… · 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 Q88031
Elsewhere: RCSB PDB 1QCE · PDBe 1QCE · UniProt Q88031

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