MolNFT v1 · #136365 · protein

Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus

5UQO · 2-methylcitrate synthase, mitochondrial: “Crystal structure of 2-methylcitrate synthase from aspergillus fumigatus”. X-ray diffraction, 5 pockets (best druggability 0.74). MolNFT v1 #136365 on GenesisL1: 3D structure, binding sites…

PDB: 5UQO
Type: protein
Length: 868 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-methylcitrate synthase, mitochondrial
EC: 2.3.3.5, 2.3.3.16
UniProt: Q50I20
Pockets: 5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, A	2-methylcitrate synthase, mitochondrial (EC 2.3.3.5, 2.3.3.16)	protein	434	62% helix, 6% strand	Q50I20

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	842	0.74	0.78	76	empty
2	584	0.70	0.79	54	empty
3	185	0.56	0.80	27	empty
4	69	0.33	0.76	21	empty
5	52	0.28	0.74	19	empty

Interfaces

1 interface between chains.

B–A · 4333 Å² buried · 47 hydrogen bonds · protein-protein

Compared structures

5UQO · Crystal structure of 2-methylcitrate synthase from Aspergillus fumigatus · the same entry in another collection · chain B against B, TM-score 1.00
Q50I20 · AlphaFold monomer V2.0 prediction for 2-methylcitrate synthase, mitochondrial (Q50I20) · a predicted model of the same protein · chain B 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 Q50I20
Elsewhere: RCSB PDB 5UQO · PDBe 5UQO · UniProt Q50I20

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