MolNFT v1 · #86961 · protein

Crystal structure of hexameric HBC149 Y132A

4BMG · Capsid protein: “Crystal structure of hexameric HBC149 Y132A”. X-ray diffraction, 9 pockets (best druggability 0.69). MolNFT v1 #86961 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4BMG
Type: protein
Length: 855 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Capsid protein
UniProt: P03147
Pockets: 9 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E	Capsid protein	protein	143	61% helix, 0% strand	P03147
B, D, F	Capsid protein	protein	142	58% helix, 0% strand	P03147

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	242	0.69	0.85	27	empty
2	212	0.66	0.84	35	empty
3	71	0.61	0.90	21	empty
4	122	0.60	0.85	25	empty
5	75	0.50	0.83	14	empty

Interfaces

7 interfaces between chains.

C–D · 2065 Å² buried · 18 hydrogen bonds · protein-protein
E–F · 1967 Å² buried · 20 hydrogen bonds · protein-protein
A–B · 1941 Å² buried · 22 hydrogen bonds · protein-protein
A–F · 582 Å² buried · 2 hydrogen bonds · protein-protein
C–E · 521 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

4BMG · Crystal structure of hexameric HBc149 Y132A · 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 P03147
Elsewhere: RCSB PDB 4BMG · PDBe 4BMG · UniProt P03147

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