MolNFT v1 · #174340 · protein

Complex structure of 1G5.3 Fab bound to DENV2 NS1C

7BSC · Non-structural protein 1: “Complex structure of 1G5.3 Fab bound to DENV2 NS1C”. X-ray diffraction, 4 pockets (best druggability 0.53). MolNFT v1 #174340 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BSC
Type: protein
Length: 607 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Non-structural protein 1; 1G5.3 Fab heavy chain; 1G5.3 Fab light chain
UniProt: Q6TFL7
Pockets: 4 · best druggability 0.53

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-structural protein 1	protein	177	11% helix, 32% strand	Q6TFL7
H	1G5.3 Fab heavy chain	protein	215	7% helix, 51% strand	—
L	1G5.3 Fab light chain	protein	215	7% helix, 52% strand	—

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	229	0.53	0.76	32	empty
2	272	0.51	0.74	41	empty
3	78	0.36	0.76	18	empty
4	61	0.29	0.74	12	empty

Interfaces

3 interfaces between chains.

H–L · 1775 Å² buried · 11 hydrogen bonds · protein-protein
A–H · 563 Å² buried · 6 hydrogen bonds · protein-protein
A–L · 264 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

7BSC · Complex structure of 1G5.3 Fab bound to DENV2 NS1c · 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 Q6TFL7
Elsewhere: RCSB PDB 7BSC · PDBe 7BSC · UniProt Q6TFL7

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