MolNFT v1 · #54105 · protein

Human PATL1 C-terminal domain (loop variant with sulfates)

2XER · PAT1 homolog 1: “Human PATL1 C-terminal domain (loop variant with sulfates)”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.74). MolNFT v1 #54105 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XER
Type: protein
Length: 682 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PAT1 homolog 1
UniProt: Q86TB9
Ligands: SO4
Pockets: 6 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 69% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	PAT1 homolog 1	protein	232	68% helix, 0% strand	Q86TB9
B	PAT1 homolog 1	protein	221	69% helix, 1% strand	Q86TB9
C	PAT1 homolog 1	protein	229	71% helix, 1% strand	Q86TB9

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 copies · chains B, A, C

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

Pockets

6 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	873	0.74	0.78	72	empty
2	290	0.55	0.76	35	SO4
3	121	0.47	0.79	23	SO4
4	54	0.44	0.83	12	empty
5	62	0.34	0.77	17	empty

Interfaces

3 interfaces between chains.

B–C · 1628 Å² buried · 30 hydrogen bonds · protein-protein
A–C · 566 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 29 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2XER · Human PatL1 C-terminal domain (loop variant with sulfates) · the same entry in another collection · chain A against A, TM-score 1.00
Q86TB9 · AlphaFold monomer V2.0 prediction for protein PAT1 homolog 1 (Q86TB9) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 Q86TB9
Elsewhere: RCSB PDB 2XER · PDBe 2XER · UniProt Q86TB9

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.