MolNFT v1 · #36240 · protein

Solution NMR structure of ectodomain of SIV GP41, models 1-10 of an ensemble of 40 simulated annealing structures

2EZP: “Solution NMR structure of ectodomain of SIV GP41, models 1-10 of an ensemble of 40 simulated annealing…”. Solution nmr, 6 pockets (best druggability 0.63). MolNFT v1 #36240 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 2EZP
Type: protein
Length: 369 residues
Chains: 3
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GP41
UniProt: Q88028
Pockets: 6 · best druggability 0.63

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	Q88028

Pockets

6 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	117	0.63	0.87	24	empty
2	97	0.59	0.86	25	empty
3	51	0.49	0.87	18	empty
4	83	0.44	0.80	20	empty
5	55	0.35	0.78	12	empty

Interfaces

3 interfaces between chains.

A–C · 2075 Å² buried · 26 hydrogen bonds · protein-protein
B–C · 2073 Å² buried · 26 hydrogen bonds · protein-protein
A–B · 2072 Å² buried · 29 hydrogen bonds · protein-protein

Compared structures

2EZP · Solution NMR structure of ectodomain of SIV GP41, models 1-10 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 Q88028
Elsewhere: RCSB PDB 2EZP · PDBe 2EZP · UniProt Q88028

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