MolNFT v1 · #65692 · protein

X-ray structure of hexameric HIV-1 ca

3H4E · Capsid protein P24: “X-ray structure of hexameric HIV-1 ca”. X-ray diffraction, 20 pockets (best druggability 0.77). MolNFT v1 #65692 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3H4E
Type: protein
Length: 2,514 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Capsid protein P24
UniProt: P12497
Pockets: 20 · best druggability 0.77

Structure

x-ray diffraction · 11 distinct chains · 60% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, G	Capsid protein P24	protein	218	59% helix, 3% strand	P12497
B	Capsid protein P24	protein	204	60% helix, 3% strand	P12497
C	Capsid protein P24	protein	212	61% helix, 3% strand	P12497
D	Capsid protein P24	protein	200	60% helix, 4% strand	P12497
E	Capsid protein P24	protein	207	61% helix, 3% strand	P12497
F	Capsid protein P24	protein	219	59% helix, 3% strand	P12497
H	Capsid protein P24	protein	208	58% helix, 3% strand	P12497
I	Capsid protein P24	protein	211	60% helix, 3% strand	P12497
J	Capsid protein P24	protein	214	60% helix, 3% strand	P12497
K	Capsid protein P24	protein	198	61% helix, 3% strand	P12497
L	Capsid protein P24	protein	205	63% helix, 3% strand	P12497

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	738	0.77	0.81	82	empty
2	968	0.76	0.78	121	empty
3	733	0.73	0.79	88	empty
4	790	0.72	0.78	97	empty
5	453	0.70	0.81	78	empty

Interfaces

38 interfaces between chains.

G–L · 1400 Å² buried · 8 hydrogen bonds · protein-protein
A–F · 1382 Å² buried · 9 hydrogen bonds · protein-protein
E–F · 1381 Å² buried · 10 hydrogen bonds · protein-protein
G–H · 1307 Å² buried · 8 hydrogen bonds · protein-protein
A–B · 1307 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

3H4E · X-ray Structure of Hexameric HIV-1 CA · 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 P12497
Elsewhere: RCSB PDB 3H4E · PDBe 3H4E · UniProt P12497

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.