MolNFT v1 · #54104 · protein

Human PATL1 C-terminal domain

2XEQ · PAT1 homolog 1,: “Human PATL1 C-terminal domain”. X-ray diffraction, 17 pockets (best druggability 0.87). MolNFT v1 #54104 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2XEQ
Type: protein
Length: 953 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: PAT1 homolog 1,
UniProt: Q86TB9
Pockets: 17 · best druggability 0.87

Structure

x-ray diffraction · 4 distinct chains · 70% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	PAT1 homolog 1,	protein	239	67% helix, 0% strand	Q86TB9
B	PAT1 homolog 1,	protein	238	72% helix, 0% strand	Q86TB9
C	PAT1 homolog 1,	protein	241	70% helix, 0% strand	Q86TB9
D	PAT1 homolog 1,	protein	235	70% helix, 0% strand	Q86TB9

Pockets

17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	932	0.87	0.88	114	empty
2	173	0.74	0.91	24	empty
3	152	0.67	0.88	33	empty
4	110	0.59	0.86	21	empty
5	128	0.57	0.83	26	empty

Interfaces

5 interfaces between chains.

B–D · 1091 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 1080 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 1011 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 764 Å² buried · 1 hydrogen bond · protein-protein
A–D · 681 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 32 modified (engineered).

Compared structures

2XEQ · Human PatL1 C-terminal domain · the same entry in another collection · chain D against D, TM-score 1.00
Q86TB9 · AlphaFold monomer V2.0 prediction for protein PAT1 homolog 1 (Q86TB9) · a predicted model of the same protein · chain C 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 Q86TB9
Elsewhere: RCSB PDB 2XEQ · PDBe 2XEQ · UniProt Q86TB9

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