MolNFT v1 · #151325 · protein

Crystal structure of surface entropy mutant of human O-glcnac hydrolase

6HKI · Protein O-glcnacase: “Crystal structure of surface entropy mutant of human O-glcnac hydrolase”. X-ray diffraction, 8 pockets (best druggability 0.83). MolNFT v1 #151325 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6HKI
Type: protein
Length: 976 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein O-glcnacase
EC: 3.2.1.169
UniProt: O60502
Pockets: 8 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein O-glcnacase (EC 3.2.1.169)	protein	490	43% helix, 9% strand	O60502
B	Protein O-glcnacase (EC 3.2.1.169)	protein	486	46% helix, 9% strand	O60502

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1044	0.83	0.84	103	empty
2	606	0.69	0.77	56	empty
3	547	0.67	0.77	51	empty
4	66	0.66	0.94	24	empty
5	237	0.51	0.75	23	empty

Interfaces

1 interface between chains.

A–B · 4648 Å² buried · 44 hydrogen bonds · protein-protein

Compared structures

6HKI · Crystal structure of surface entropy mutant of human O-GlcNAc hydrolase · the same entry in another collection · chain A against A, TM-score 1.00
O60502 · AlphaFold monomer V2.0 prediction for protein O-glcnacase (O60502) · a predicted model of the same protein · chain B against A, TM-score 0.90

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 O60502
Elsewhere: RCSB PDB 6HKI · PDBe 6HKI · UniProt O60502

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