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A new HIV fusion peptide inhibitor

Analyse A new HIV fusion peptide inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5BN0
Type: protein
Length: 211 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Envelope glycoprotein GP160; Envelope glycoprotein
UniProt: B2CPZ5, Q1HMR5
Ligands: ACE

Structure

x-ray diffraction · 5 distinct chains · 91% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C, A	Envelope glycoprotein GP160	protein	36	86% helix, 0% strand	B2CPZ5
N	Envelope glycoprotein	protein	34	94% helix, 0% strand	Q1HMR5
B	Envelope glycoprotein	protein	35	94% helix, 0% strand	Q1HMR5
D	Envelope glycoprotein GP160	protein	34	91% helix, 0% strand	B2CPZ5
E	Envelope glycoprotein	protein	36	92% helix, 0% strand	Q1HMR5

Ligands and binding sites

ACE · Acetyl group · ligand · 2 copies · chains C, D

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

Interfaces

9 interfaces between chains.

C–N · 873 Å² buried · 9 hydrogen bonds · protein-protein
D–E · 811 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 773 Å² buried · 6 hydrogen bonds · protein-protein
B–E · 678 Å² buried · 4 hydrogen bonds · protein-protein
N–B · 666 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

5BN0 · A new HIV fusion peptide inhibitor · the same entry in another collection · chain C against C, 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 B2CPZ5
Every structure of UniProt Q1HMR5
Elsewhere: RCSB PDB 5BN0 · PDBe 5BN0 · UniProt B2CPZ5 · UniProt Q1HMR5

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