MolNFT v1 · #91778 · protein

X-ray crystal structure of the ancestral 3-keto steroid receptor - doc complex

4FNE · Steroid receptor 2: “X-ray crystal structure of the ancestral 3-keto steroid receptor - doc complex”. X-ray diffraction, 3 ligands (1CA, CPS, SO4), 3 pockets (best druggability 0.85). MolNFT v1 #91778 on GenesisL1: 3D structure…

PDB: 4FNE
Type: protein
Length: 248 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Steroid receptor 2
Ligands: 1CA, CPS, SO4
Pockets: 3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Steroid receptor 2	protein	248	69% helix, 5% strand	—

Ligands and binding sites

1CA · Desoxycorticosterone · ligand · chains A
CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	195	0.85	0.98	24	1CA
2	106	0.59	0.85	18	GOL
3	69	0.42	0.80	16	empty

Compared structures

4FNE · X-ray Crystal structure of the Ancestral 3-keto steroid receptor - DOC complex · 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
Elsewhere: RCSB PDB 4FNE · PDBe 4FNE

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