MolNFT v1 · #114181 · protein

Crystal structure of an Fab against human influenza a

5B4M · Fab heavy chain: “Crystal structure of an Fab against human influenza a”. X-ray diffraction, 10 pockets (best druggability 0.82). MolNFT v1 #114181 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5B4M
Type: protein
Length: 878 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab heavy chain; Fab light chain
Pockets: 10 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H, C	Fab heavy chain	protein	221	8% helix, 48% strand	—
L, D	Fab light chain	protein	218	6% helix, 51% strand	—

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	783	0.82	0.85	90	empty
2	987	0.82	0.83	111	empty
3	97	0.50	0.83	22	empty
4	81	0.50	0.83	26	empty
5	147	0.48	0.78	26	empty

Interfaces

6 interfaces between chains.

C–D · 2073 Å² buried · 20 hydrogen bonds · protein-protein
H–L · 2026 Å² buried · 18 hydrogen bonds · protein-protein
H–C · 916 Å² buried · 8 hydrogen bonds · protein-protein
L–D · 449 Å² buried · 5 hydrogen bonds · protein-protein
L–C · 146 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

5B4M · Crystal structure of an Fab against human influenza A · 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
Elsewhere: RCSB PDB 5B4M · PDBe 5B4M

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