MolNFT v2 · #214948 · protein

Structure of BtKY72 spike receptor-binding domain (RBD) complexed with bat ACE2

8K4U: “Structure of BtKY72 spike receptor-binding domain (RBD) complexed with bat ACE2”. Electron microscopy at 3.2, 1 ligand (ZN), 4 pockets (best druggability 0.83). MolNFT v2 #214948 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 8K4U
Type: protein
Length: 778 residues
Chains: 2
Method: electron microscopy
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 3.2
Source: Rhinolophus landeri; Severe acute respiratory syndrome-related coronavirus
Molecule: BtKY72; ACE2
Ligands: ZN
Pockets: 4 · best druggability 0.83

Structure

electron microscopy · resolution 3.2 · 2 distinct chains · 44% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BtKY72	protein	184	8% helix, 24% strand	—
B	ACE2	protein	594	55% helix, 4% strand	—

Ligands and binding sites

ZN · Zinc ion · metal · chains B

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

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	1025	0.83	0.84	102	empty
2	305	0.57	0.77	38	empty
3	84	0.41	0.78	18	empty
4	55	0.28	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 836 Å² buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 8K4U · PDBe 8K4U

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