MolNFT v1 · #62283 · protein

Crystal structure of CGD4_240 from cryptosporidium parvum in complex with indirubin E804

3EB0 · Putative uncharacterized protein: “Crystal structure of CGD4_240 from cryptosporidium parvum in complex with indirubin E804”. X-ray diffraction, 1 ligand (DRK), 7 pockets (best druggability 0.59). MolNFT v1 #62283 on GenesisL1: 3D…

PDB: 3EB0
Type: protein
Length: 623 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein
UniProt: A3FQN0
Ligands: DRK
Pockets: 7 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative uncharacterized protein	protein	312	38% helix, 17% strand	A3FQN0
C	Putative uncharacterized protein	protein	311	39% helix, 16% strand	A3FQN0

Ligands and binding sites

DRK · 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one · ligand · 2 copies · chains A, C
GOL · Glycerol · additive · 4 copies · chains A, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	259	0.59	0.79	35	DRK
2	180	0.59	0.82	25	DRK
3	184	0.58	0.81	32	empty
4	244	0.56	0.77	32	empty
5	295	0.52	0.74	33	empty

Interfaces

1 interface between chains.

A–C · 362 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

3EB0 · Crystal Structure of cgd4_240 from cryptosporidium Parvum in complex with indirubin E804 · 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 A3FQN0
Elsewhere: RCSB PDB 3EB0 · PDBe 3EB0 · UniProt A3FQN0

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