MolNFT v1 · #138855 · protein

Crystal structure of middle east respiratory syndrome coronavirus helicase (MERS-cov NSP13)

5WWP · ORF1AB: “Crystal structure of middle east respiratory syndrome coronavirus helicase (MERS-cov NSP13)”. X-ray diffraction, 2 ligands (ZN, SO4), 9 pockets (best druggability 0.80). MolNFT v1 #138855 on GenesisL1: 3D structure, binding…

PDB: 5WWP
Type: protein
Length: 1,106 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ORF1AB
UniProt: K0BWD0
Ligands: ZN, SO4
Pockets: 9 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	ORF1AB	protein	591	27% helix, 23% strand	K0BWD0
A	ORF1AB	protein	515	31% helix, 20% strand	K0BWD0

Ligands and binding sites

ZN · Zinc ion · metal · 6 copies · chains B, A
SO4 · Sulfate ion · ion · 5 copies · chains B, A

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

Pockets

9 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	775	0.80	0.83	76	empty
2	247	0.59	0.79	33	SO4
3	199	0.52	0.78	26	SO4
4	182	0.52	0.78	21	empty
5	84	0.49	0.83	17	SO4

Interfaces

1 interface between chains.

B–A · 480 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5WWP · Crystal structure of Middle East respiratory syndrome coronavirus helicase (MERS-CoV… · 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
Every structure of UniProt K0BWD0
Elsewhere: RCSB PDB 5WWP · PDBe 5WWP · UniProt K0BWD0

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