MolNFT v1 · #120301 · protein

Crystal structure of bvdv NS3 helicase domain

5GVU: “Crystal structure of bvdv NS3 helicase domain”. X-ray diffraction, 16 pockets (best druggability 0.66). MolNFT v1 #120301 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5GVU
Type: protein
Length: 1,186 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: NS3 helicase
UniProt: Q9IFH8
Pockets: 16 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	NS3 helicase	protein	454	37% helix, 19% strand	Q9IFH8
B	NS3 helicase	protein	355	39% helix, 15% strand	Q9IFH8
C	NS3 helicase	protein	377	39% helix, 18% strand	Q9IFH8

Pockets

16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	245	0.66	0.83	35	empty
2	193	0.64	0.84	39	empty
3	150	0.58	0.83	27	empty
4	126	0.54	0.82	24	empty
5	295	0.52	0.74	40	empty

Interfaces

2 interfaces between chains.

A–B · 556 Å² buried · 7 hydrogen bonds · protein-protein
A–C · 155 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5GVU · crystal structure of BVDV NS3 helicase domain · 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 Q9IFH8
Elsewhere: RCSB PDB 5GVU · PDBe 5GVU · UniProt Q9IFH8

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