MolNFT v1 · #62711 · protein

Crystal structure of pyrococcus furiosus PCC1 in complex with thermoplasma acidophilum KAE1

3ENO · Putative O-sialoglycoprotein endopeptidase: “Crystal structure of pyrococcus furiosus PCC1 in complex with thermoplasma acidophilum KAE1”. X-ray diffraction, 1 ligand (MG), 8 pockets (best druggability 0.83). MolNFT v1 #62711 on…

PDB: 3ENO
Type: protein
Length: 966 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative O-sialoglycoprotein endopeptidase; Uncharacterized protein PF2011
EC: 3.4.24.57
UniProt: Q9HLA5, Q8TZI1
Ligands: MG
Pockets: 8 · best druggability 0.83

Structure

x-ray diffraction · 5 distinct chains · 46% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative O-sialoglycoprotein endopeptidase (EC 3.4.24.57)	protein	329	45% helix, 18% strand	Q9HLA5
B	Putative O-sialoglycoprotein endopeptidase (EC 3.4.24.57)	protein	328	45% helix, 17% strand	Q9HLA5
C, E	Uncharacterized protein PF2011	protein	77	51% helix, 29% strand	Q8TZI1
D	Uncharacterized protein PF2011	protein	76	50% helix, 30% strand	Q8TZI1
F	Uncharacterized protein PF2011	protein	79	49% helix, 29% strand	Q8TZI1

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	930	0.83	0.85	101	empty
2	714	0.79	0.83	65	MG
3	169	0.70	0.88	29	empty
4	289	0.66	0.82	35	empty
5	97	0.37	0.75	17	empty

Interfaces

11 interfaces between chains.

E–F · 1014 Å² buried · 17 hydrogen bonds · protein-protein
C–D · 897 Å² buried · 15 hydrogen bonds · protein-protein
A–C · 865 Å² buried · 5 hydrogen bonds · protein-protein
B–F · 858 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 510 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3ENO · Crystal structure of Pyrococcus furiosus Pcc1 in complex with Thermoplasma acidophilum… · the same entry in another collection · chain F against F, TM-score 1.00
Q9HLA5 · AlphaFold monomer V2.0 prediction for probable bifunctional tRNA… · 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 Q9HLA5
Every structure of UniProt Q8TZI1
Elsewhere: RCSB PDB 3ENO · PDBe 3ENO · UniProt Q9HLA5 · UniProt Q8TZI1

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