MolNFT v1 · #60495 · protein

Tethered pxr-LBD/SRC-1P apoprotein

3CTB · Pregnane X receptor, linker, steroid receptor coactivator 1: “Tethered pxr-LBD/SRC-1P apoprotein”. X-ray diffraction, 7 pockets (best druggability 0.87). MolNFT v1 #60495 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3CTB
Type: protein
Length: 574 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pregnane X receptor, linker, steroid receptor coactivator 1
EC: 2.3.1.48
UniProt: O75469, Q15788
Pockets: 7 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pregnane X receptor, linker, steroid receptor coactivator 1 (EC 2.3.1.48)	protein	287	61% helix, 8% strand	O75469, Q15788
B	Pregnane X receptor, linker, steroid receptor coactivator 1 (EC 2.3.1.48)	protein	287	61% helix, 8% strand	O75469, Q15788

Pockets

7 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	449	0.87	0.94	41	empty
2	407	0.86	0.94	41	empty
3	68	0.37	0.77	11	empty
4	59	0.35	0.78	16	empty
5	83	0.34	0.75	22	empty

Interfaces

1 interface between chains.

A–B · 951 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

3CTB · Tethered PXR-LBD/SRC-1p apoprotein · the same entry in another collection · chain A against A, TM-score 1.00
O75469 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 1 group I member 2… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 O75469
Every structure of UniProt Q15788
Elsewhere: RCSB PDB 3CTB · PDBe 3CTB · UniProt O75469 · UniProt Q15788

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