MolNFT v1 · #137725 · protein

Crystal structure analysis of human clybl in complex with free coash

5VXC · Citrate lyase subunit beta-like protein, mitochondrial: “Crystal structure analysis of human clybl in complex with free coash”. X-ray diffraction, 2 ligands (COA, MG), 3 pockets (best druggability 0.44). MolNFT v1 #137725 on…

PDB: 5VXC
Type: protein
Length: 301 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Citrate lyase subunit beta-like protein, mitochondrial
UniProt: Q8N0X4
Ligands: COA, MG
Pockets: 3 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Citrate lyase subunit beta-like protein, mitochondrial	protein	301	51% helix, 16% strand	Q8N0X4

Ligands and binding sites

COA · Coenzyme A · ligand · chains A
MG · Magnesium 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	134	0.44	0.77	20	MG
2	138	0.40	0.74	20	empty
3	99	0.35	0.74	22	empty

Compared structures

5VXC · Crystal Structure Analysis of human CLYBL in complex with free CoASH · the same entry in another collection · chain A against A, TM-score 1.00
Q8N0X4 · AlphaFold monomer V2.0 prediction for citramalyl-CoA lyase, mitochondrial (Q8N0X4) · 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 Q8N0X4
Elsewhere: RCSB PDB 5VXC · PDBe 5VXC · UniProt Q8N0X4

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