MolNFT v1 · #54207 · protein

HCV-J4 NS5B polymerase orthorhombic crystal form

2XHU · RNA-directed RNA polymerase: “HCV-J4 NS5B polymerase orthorhombic crystal form”. X-ray diffraction, 1 ligand (SO4), 12 pockets (best druggability 0.80). MolNFT v1 #54207 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XHU
Type: protein
Length: 1,125 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RNA-directed RNA polymerase
EC: 2.7.7.48
UniProt: O92972
Ligands: SO4
Pockets: 12 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RNA-directed RNA polymerase (EC 2.7.7.48)	protein	562	47% helix, 15% strand	O92972
B	RNA-directed RNA polymerase (EC 2.7.7.48)	protein	563	48% helix, 15% strand	O92972

Ligands and binding sites

SO4 · Sulfate ion · ion · 17 copies · chains B, A

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

Pockets

12 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	1101	0.80	0.82	75	SO4
2	1145	0.80	0.82	80	SO4
3	800	0.68	0.75	83	SO4
4	115	0.52	0.82	17	empty
5	132	0.47	0.78	18	empty

Interfaces

1 interface between chains.

A–B · 284 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2XHU · HCV-J4 NS5B Polymerase Orthorhombic Crystal Form · 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 2XHU · PDBe 2XHU · UniProt O92972

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