Research workbench

Designed protein KE59 R13 3/11H with benzotriazole

Analyse Designed protein KE59 R13 3/11H with benzotriazole in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UZJ
Type: protein
Length: 489 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kemp eliminase KE59 R13 3/11H
EC: 4.-.-.-
Ligands: 0CT, PO4
Pockets: 4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kemp eliminase KE59 R13 3/11H (EC 4.-.-.-)	protein	247	40% helix, 17% strand	—
B	Kemp eliminase KE59 R13 3/11H (EC 4.-.-.-)	protein	242	42% helix, 16% strand	—

Ligands and binding sites

0CT · 1H-benzotriazole · ligand · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 3 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	192	0.78	0.92	39	0CT, PO4
2	271	0.69	0.84	37	PO4, 0CT
3	319	0.60	0.78	41	empty
4	59	0.32	0.77	19	empty

Interfaces

1 interface between chains.

A–B · 223 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3UZJ · Designed protein KE59 R13 3/11H with benzotriazole · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 3UZJ · PDBe 3UZJ

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