MolNFT v1 · #147831 · protein

Enterococcus faecalis fic protein in complex with ADP and calcium ion.

6EP2 · Fic family protein: “Enterococcus faecalis fic protein in complex with ADP and calcium ion.”. X-ray diffraction, 2 ligands (ADP, CA), 20 pockets (best druggability 0.88). MolNFT v1 #147831 on GenesisL1: 3D structure, binding sites…

PDB: 6EP2
Type: protein
Length: 2,430 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fic family protein
UniProt: U6S0Y1
Ligands: ADP, CA
Pockets: 20 · best druggability 0.88

Structure

x-ray diffraction · 3 distinct chains · 62% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, F, H, I, J	Fic family protein	protein	202	62% helix, 5% strand	U6S0Y1
D, E, G, L	Fic family protein	protein	203	63% helix, 5% strand	U6S0Y1
K	Fic family protein	protein	204	61% helix, 5% strand	U6S0Y1

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
CA · Calcium ion · metal · 24 copies · chains A, D, B, C, E, L, F, J, G, I, H, K

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	923	0.88	0.90	138	ADP, CA
2	1012	0.86	0.87	117	ADP, CA
3	512	0.83	0.90	73	ADP, CA
4	528	0.83	0.89	85	ADP, CA
5	522	0.83	0.89	76	ADP, CA

Interfaces

31 interfaces between chains.

E–L · 1118 Å² buried · 32 hydrogen bonds · protein-protein
H–K · 1109 Å² buried · 27 hydrogen bonds · protein-protein
G–I · 1107 Å² buried · 30 hydrogen bonds · protein-protein
B–C · 1101 Å² buried · 30 hydrogen bonds · protein-protein
F–J · 1099 Å² buried · 30 hydrogen bonds · protein-protein

Compared structures

6EP2 · Enterococcus faecalis FIC protein in complex with ADP and calcium ion. · the same entry in another collection · chain A against A, 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
Every structure of UniProt U6S0Y1
Elsewhere: RCSB PDB 6EP2 · PDBe 6EP2 · UniProt U6S0Y1

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