MolNFT v1 · #83180 · protein

Crystal structure of M. ruber casb

3WA8 · CRISPR-associated protein, CSE2 family: “Crystal structure of M. ruber casb”. X-ray diffraction, 1 ligand (HG), 3 pockets (best druggability 0.63). MolNFT v1 #83180 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3WA8
Type: protein
Length: 354 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: CRISPR-associated protein, CSE2 family
UniProt: D3PQC9
Ligands: HG
Pockets: 3 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	CRISPR-associated protein, CSE2 family	protein	179	68% helix, 0% strand	D3PQC9
B	CRISPR-associated protein, CSE2 family	protein	175	67% helix, 0% strand	D3PQC9

Ligands and binding sites

HG · Mercury (II) ion · metal · 4 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	419	0.63	0.78	34	empty
2	95	0.41	0.78	15	HG
3	62	0.31	0.75	14	HG

Interfaces

1 interface between chains.

A–B · 836 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

3WA8 · Crystal structure of M. ruber CasB · 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 D3PQC9
Elsewhere: RCSB PDB 3WA8 · PDBe 3WA8 · UniProt D3PQC9

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