MolNFT v1 · #117508 · protein

Crystal structure of inhibitor bms-433771 in complex with prefusion rsv F glycoprotein

5EA7 · Fusion glycoprotein F0: “Crystal structure of inhibitor bms-433771 in complex with prefusion rsv F glycoprotein”. X-ray diffraction, 2 ligands (5NO, SO4), 1 pocket (best druggability 0.34). MolNFT v1 #117508 on GenesisL1: 3D…

PDB: 5EA7
Type: protein
Length: 435 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fusion glycoprotein F0
UniProt: P03420
Ligands: 5NO, SO4
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
F	Fusion glycoprotein F0	protein	435	30% helix, 34% strand	P03420

Ligands and binding sites

5NO · 1-cyclopropyl-3-[[1-(4-oxidanylbutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one · ligand · chains F
SO4 · Sulfate ion · ion · 5 copies · chains F
NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains F

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	85	0.34	0.75	18	empty

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

5EA7 · Crystal Structure of Inhibitor BMS-433771 in Complex with Prefusion RSV F Glycoprotein · the same entry in another collection · chain F against F, 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 P03420
Elsewhere: RCSB PDB 5EA7 · PDBe 5EA7 · UniProt P03420

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