MolNFT v1 · #54106 · protein

Human PATL1 C-terminal domain (loop variant)

2XES · Protein PAT1 homolog 1: “Human PATL1 C-terminal domain (loop variant)”. X-ray diffraction, 2 ligands (K, SCN), 3 pockets (best druggability 0.72). MolNFT v1 #54106 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XES
Type: protein
Length: 472 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein PAT1 homolog 1
UniProt: Q86TB9
Ligands: K, SCN
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein PAT1 homolog 1	protein	234	74% helix, 0% strand	Q86TB9
B	Protein PAT1 homolog 1	protein	238	72% helix, 1% strand	Q86TB9

Ligands and binding sites

K · Potassium ion · metal · 2 copies · chains A, B
SCN · Thiocyanate ion · ion · 4 copies · chains A, B

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	456	0.72	0.82	37	empty
2	142	0.58	0.83	29	SCN
3	227	0.50	0.75	30	empty

Interfaces

1 interface between chains.

A–B · 857 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

2XES · Human PatL1 C-terminal domain (loop variant) · 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 0.98

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 2XES · PDBe 2XES · UniProt Q86TB9

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