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Trypanosoma cruzi malic enzyme in complex with inhibitor (MEC063)

Analyse Trypanosoma cruzi malic enzyme in complex with inhibitor (MEC063) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6W59
Type: protein
Length: 544 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Malic enzyme
UniProt: A0A2V2XFZ1
Ligands: SZD
Pockets: 8 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Malic enzyme	protein	544	51% helix, 10% strand	A0A2V2XFZ1

Ligands and binding sites

SZD · 3,5-bis(fluoranyl)-~{N}-[3-[[4-(trifluoromethyloxy) phenyl]sulfamoyl]phenyl]benzamide · ligand · chains A
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

8 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	647	0.76	0.82	58	empty
2	103	0.72	0.94	23	empty
3	218	0.52	0.76	23	empty
4	70	0.45	0.82	18	empty
5	55	0.36	0.79	17	empty

Compared structures

6W59 · Trypanosoma cruzi Malic Enzyme in complex with inhibitor (MEC063) · 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 A0A2V2XFZ1
Elsewhere: RCSB PDB 6W59 · PDBe 6W59 · UniProt A0A2V2XFZ1

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