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Solution NMR structure of ectodomain of SIV GP41, models 31-40 of an ensemble of 40 simulated annealing structures

Analyse Solution NMR structure of ectodomain of SIV GP41, models 31-40 of an ensemble… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2EZS
Type: protein
Length: 369 residues
Chains: 3
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GP41
UniProt: Q88031
Pockets: 4 · best druggability 0.58

Structure

solution nmr · 1 distinct chain · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	GP41	protein	123	75% helix, 0% strand	Q88031

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	127	0.58	0.84	28	empty
2	130	0.58	0.84	21	empty
3	77	0.43	0.80	21	empty
4	76	0.42	0.80	18	empty

Interfaces

3 interfaces between chains.

A–B · 2039 Å² buried · 20 hydrogen bonds · protein-protein
B–C · 2029 Å² buried · 20 hydrogen bonds · protein-protein
A–C · 2025 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

2EZS · Solution NMR structure of ectodomain of SIV GP41, models 31-40 of an ensemble of 40… · 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 2EZS · PDBe 2EZS · UniProt Q88031

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