MolNFT v1 · #102314 · protein

C. elegans CLP1 and ADP and MG2+ (turnover state)

4OI2 · Protein clpf-1: “C. elegans CLP1 and ADP and MG2+ (turnover state)”. X-ray diffraction, 2 ligands (ADP, MG), 3 pockets (best druggability 0.81). MolNFT v1 #102314 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4OI2
Type: protein
Length: 398 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein clpf-1
UniProt: P52874
Ligands: ADP, MG
Pockets: 3 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein clpf-1	protein	398	27% helix, 32% strand	P52874

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A
2PE · Nonaethylene glycol · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1063	0.81	0.82	85	ADP, MG
2	247	0.54	0.77	36	empty
3	59	0.38	0.79	14	empty

Compared structures

4OI2 · C. Elegans Clp1 and ADP and Mg2+ (turnover state) · the same entry in another collection · chain A against A, TM-score 1.00
P52874 · AlphaFold monomer V2.0 prediction for protein clpf-1 (P52874) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P52874
Elsewhere: RCSB PDB 4OI2 · PDBe 4OI2 · UniProt P52874

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