MolNFT v1 · #98597 · protein

Crystal structure of the unphosphorylated receiver domain of desr in the active state

4LE2 · Transcriptional regulatory protein desr: “Crystal structure of the unphosphorylated receiver domain of desr in the active state”. X-ray diffraction, 2 ligands (K, PO4), 2 pockets (best druggability 0.46). MolNFT v1 #98597 on…

PDB: 4LE2
Type: protein
Length: 522 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulatory protein desr
UniProt: O34723
Ligands: K, PO4
Pockets: 2 · best druggability 0.46

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulatory protein desr	protein	132	43% helix, 23% strand	O34723
B	Transcriptional regulatory protein desr	protein	130	40% helix, 23% strand	O34723
C	Transcriptional regulatory protein desr	protein	134	42% helix, 22% strand	O34723
D	Transcriptional regulatory protein desr	protein	126	40% helix, 24% strand	O34723

Ligands and binding sites

K · Potassium ion · metal · 8 copies · chains A, B, C, D
PO4 · Phosphate ion · ion · 3 copies · chains A, B, C

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

Pockets

2 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	131	0.46	0.78	20	K
2	98	0.35	0.74	25	empty

Interfaces

3 interfaces between chains.

A–B · 855 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 816 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 380 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4LE2 · Crystal structure of the unphosphorylated receiver domain of DesR in the active state · the same entry in another collection · chain D against D, TM-score 1.00
O34723 · AlphaFold monomer V2.0 prediction for transcriptional regulatory protein desr (O34723) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 O34723
Elsewhere: RCSB PDB 4LE2 · PDBe 4LE2 · UniProt O34723

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