MolNFT v1 · #5058 · protein

Crystal structure of HIV-1 capsid protein (P24) in complex with FAB13B5

1E6J · Immunoglobulin: “Crystal structure of HIV-1 capsid protein (P24) in complex with FAB13B5”. X-ray diffraction, 4 pockets (best druggability 0.55). MolNFT v1 #5058 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1E6J
Type: protein
Length: 639 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Immunoglobulin; Capsid protein P24
UniProt: P04591
Pockets: 4 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 25% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H	Immunoglobulin	protein	219	8% helix, 54% strand	—
L	Immunoglobulin	protein	210	6% helix, 57% strand	—
P	Capsid protein P24	protein	210	62% helix, 0% strand	P04591

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	364	0.55	0.74	55	empty
2	178	0.51	0.78	24	empty
3	73	0.42	0.80	17	empty
4	57	0.28	0.74	11	empty

Interfaces

3 interfaces between chains.

H–L · 1846 Å² buried · 15 hydrogen bonds · protein-protein
H–P · 548 Å² buried · 10 hydrogen bonds · protein-protein
L–P · 149 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

1E6J · Crystal structure of HIV-1 capsid protein (p24) in complex with Fab13B5 · the same entry in another collection · chain H against H, 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 P04591
Elsewhere: RCSB PDB 1E6J · PDBe 1E6J · UniProt P04591

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