MolNFT v1 · #106405 · protein

C-terminal mutant (W550N) of HCV/J4 RNA polymerase

4RY5 · HCV J4 RNA polymerase (NS5B): “C-terminal mutant (W550N) of HCV/J4 RNA polymerase”. X-ray diffraction, 2 ligands (UTP, MN), 14 pockets (best druggability 0.81). MolNFT v1 #106405 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4RY5
Type: protein
Length: 1,130 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HCV J4 RNA polymerase (NS5B)
EC: 2.7.7.48
UniProt: O92972
Ligands: UTP, MN
Pockets: 14 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	HCV J4 RNA polymerase (NS5B) (EC 2.7.7.48)	protein	565	47% helix, 15% strand	O92972

Ligands and binding sites

UTP · Uridine 5'-triphosphate · ligand · 2 copies · chains A, B
MN · Manganese (II) ion · metal · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

14 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	1167	0.81	0.82	87	MN, UTP
2	1112	0.80	0.81	78	MN, UTP
3	656	0.68	0.76	58	empty
4	193	0.57	0.80	31	empty
5	250	0.50	0.75	34	empty

Interfaces

1 interface between chains.

A–B · 368 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4RY5 · C-terminal mutant (W550N) of HCV/J4 RNA polymerase · 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 O92972
Elsewhere: RCSB PDB 4RY5 · PDBe 4RY5 · UniProt O92972

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