MolNFT v1 · #96577 · protein

Crystal structure of plasmodium falciparum erythrocyte binding antigen 140 (pfeba-140/BAEBL) region II in complex with sialyllactose

4JNO · Baebl protein: “Crystal structure of plasmodium falciparum erythrocyte binding antigen 140 (pfeba-140/BAEBL) region II in…”. X-ray diffraction, 1 ligand (SIA), 7 pockets (best druggability 0.73). MolNFT v1 #96577 on GenesisL1: 3D…

PDB: 4JNO
Type: protein
Length: 586 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Baebl protein
UniProt: Q8T9N3
Ligands: SIA
Pockets: 7 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Baebl protein	protein	586	66% helix, 2% strand	Q8T9N3

Ligands and binding sites

SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	745	0.73	0.79	73	SIA
2	113	0.51	0.81	18	empty
3	178	0.51	0.78	26	empty
4	86	0.47	0.81	17	empty
5	110	0.41	0.76	19	empty

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

4JNO · Crystal structure of Plasmodium falciparum Erythrocyte Binding Antigen 140… · 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 Q8T9N3
Elsewhere: RCSB PDB 4JNO · PDBe 4JNO · UniProt Q8T9N3

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