MolNFT v1 · #159027 · protein

Crystal structure of flua-20 Fab

6OBZ · Heavy chain of flua-20 Fab: “Crystal structure of flua-20 Fab”. X-ray diffraction, 13 pockets (best druggability 0.56). MolNFT v1 #159027 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6OBZ
Type: protein
Length: 868 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heavy chain of flua-20 Fab; Light chain of flua-20 Fab, immunoglobulin light chain
Pockets: 13 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, H	Heavy chain of flua-20 Fab	protein	221	5% helix, 50% strand	—
B, L	Light chain of flua-20 Fab, immunoglobulin light chain	protein	213	6% helix, 52% strand	—

Pockets

13 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	406	0.56	0.74	48	empty
2	427	0.56	0.73	47	empty
3	255	0.51	0.75	35	empty
4	174	0.44	0.74	34	empty
5	73	0.44	0.81	14	empty

Interfaces

4 interfaces between chains.

H–L · 1806 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 1776 Å² buried · 9 hydrogen bonds · protein-protein
B–H · 135 Å² buried · 4 hydrogen bonds · protein-protein
B–L · 13 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

6OBZ · Crystal structure of FluA-20 Fab · the same entry in another collection · chain B against B, 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 6OBZ · PDBe 6OBZ

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