MolNFT v1 · #124269 · protein

HIV-1 GP41 variant Q552R and L555M resistance mutations

5KA6 · Transmembrane protein GP41: “HIV-1 GP41 variant Q552R and L555M resistance mutations”. X-ray diffraction, 1 pocket (best druggability 0.69). MolNFT v1 #124269 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5KA6
Type: protein
Length: 235 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transmembrane protein GP41
UniProt: P04578
Pockets: 1 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 91% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transmembrane protein GP41	protein	79	95% helix, 0% strand	P04578
B	Transmembrane protein GP41	protein	79	92% helix, 0% strand	P04578
C	Transmembrane protein GP41	protein	77	87% helix, 0% strand	P04578

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	87	0.69	0.93	21	empty

Interfaces

3 interfaces between chains.

A–C · 1222 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 1207 Å² buried · 8 hydrogen bonds · protein-protein
B–C · 1156 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

5KA6 · HIV-1 gp41 variant Q552R and L555M resistance mutations · 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 P04578
Elsewhere: RCSB PDB 5KA6 · PDBe 5KA6 · UniProt P04578

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