MolNFT v1 · #5801 · protein

Crystal structure of the FLT3 ligand

1ETE: “Crystal structure of the FLT3 ligand”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.47). MolNFT v1 #5801 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1ETE
Type: protein
Length: 529 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FLT3 ligand
UniProt: P49771
Ligands: ZN
Pockets: 3 · best druggability 0.47

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	FLT3 ligand	protein	134	47% helix, 10% strand	P49771
C	FLT3 ligand	protein	131	49% helix, 8% strand	P49771
D	FLT3 ligand	protein	130	48% helix, 10% strand	P49771

Ligands and binding sites

ZN · Zinc ion · metal · 9 copies · chains A, B, C, D

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	233	0.47	0.73	30	empty
2	122	0.44	0.77	21	ZN
3	55	0.30	0.76	14	empty

Interfaces

3 interfaces between chains.

C–D · 869 Å² buried · 16 hydrogen bonds · protein-protein
A–B · 857 Å² buried · 13 hydrogen bonds · protein-protein
B–D · 224 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

1ETE · Crystal structure of the FLT3 ligand · the same entry in another collection · chain D against D, TM-score 1.00
P49771 · AlphaFold monomer V2.0 prediction for fms-related tyrosine kinase 3 ligand (P49771) · a predicted model of the same protein · chain C 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 P49771
Elsewhere: RCSB PDB 1ETE · PDBe 1ETE · UniProt P49771

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