MolNFT v1 · #78812 · protein

Crystal structure of the thermus thermophilus CAS3 hd domain in the presence of NI2+

3SKD · Putative uncharacterized protein TTHB187: “Crystal structure of the thermus thermophilus CAS3 hd domain in the presence of NI2+”. X-ray diffraction, 1 ligand (NI), 3 pockets (best druggability 0.40). MolNFT v1 #78812 on GenesisL1…

PDB: 3SKD
Type: protein
Length: 230 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein TTHB187
UniProt: Q53VY2
Ligands: NI
Pockets: 3 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative uncharacterized protein TTHB187	protein	230	64% helix, 6% strand	Q53VY2

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	64	0.40	0.80	12	empty
2	81	0.37	0.77	16	empty
3	53	0.29	0.74	15	empty

Compared structures

3SKD · Crystal structure of the Thermus thermophilus cas3 HD domain in the presence of Ni2+ · the same entry in another collection · chain A against A, TM-score 1.00
Q53VY2 · AlphaFold monomer V2.0 prediction for CRISPR-associated ENDONUCLEASE/HELICASE CAS3… · a predicted model of the same protein · chain A against A, TM-score 0.93

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 Q53VY2
Elsewhere: RCSB PDB 3SKD · PDBe 3SKD · UniProt Q53VY2

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