MolNFT v1 · #149340 · protein

Crystal structure of human baff in complex with Fab fragment of anti- baff antibody belimumab

6FXN · Tumor necrosis factor ligand superfamily member 13B: “Crystal structure of human baff in complex with Fab fragment of anti- baff antibody belimumab”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #149340 on…

PDB: 6FXN
Type: protein
Length: 3,418 residues
Chains: 18
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tumor necrosis factor ligand superfamily member 13B; Belimumab heavy chain; Belimumab…
UniProt: Q9Y275
Pockets: 20 · best druggability 0.78

Structure

x-ray diffraction · 9 distinct chains · 5% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, J, K, L	Tumor necrosis factor ligand superfamily member 13B	protein	144	0% helix, 57% strand	Q9Y275
D	Belimumab heavy chain	protein	215	3% helix, 48% strand	—
E	Belimumab light chain	protein	209	9% helix, 49% strand	—
F	Belimumab heavy chain	protein	220	3% helix, 48% strand	—
G, I, N, P	Belimumab light chain	protein	210	9% helix, 49% strand	—
H	Belimumab heavy chain	protein	216	4% helix, 48% strand	—
M, Q	Belimumab heavy chain	protein	215	3% helix, 50% strand	—
O	Belimumab heavy chain	protein	215	3% helix, 50% strand	—
R	Belimumab light chain	protein	209	9% helix, 49% strand	—

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	154	0.78	0.95	27	empty
2	147	0.77	0.95	30	empty
3	120	0.77	0.96	24	empty
4	157	0.76	0.94	33	empty
5	125	0.76	0.95	28	empty

Interfaces

33 interfaces between chains.

F–G · 1753 Å² buried · 13 hydrogen bonds · protein-protein
H–I · 1743 Å² buried · 14 hydrogen bonds · protein-protein
M–N · 1693 Å² buried · 11 hydrogen bonds · protein-protein
Q–R · 1679 Å² buried · 10 hydrogen bonds · protein-protein
O–P · 1665 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 disulfide (disulfide).

Compared structures

6FXN · Crystal structure of human BAFF in complex with Fab fragment of anti-BAFF antibody… · the same entry in another collection · chain R against R, 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 Q9Y275
Elsewhere: RCSB PDB 6FXN · PDBe 6FXN · UniProt Q9Y275

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