MolNFT v1 · #173289 · protein

Structure of ESTD11 in complex with fluorescein

7AUY: “Structure of ESTD11 in complex with fluorescein”. X-ray diffraction, 1 ligand (FDS), 4 pockets (best druggability 0.70). MolNFT v1 #173289 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7AUY
Type: protein
Length: 522 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ESTD11
Ligands: FDS
Pockets: 4 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ESTD11	protein	277	42% helix, 18% strand	—
B	ESTD11	protein	245	41% helix, 21% strand	—

Ligands and binding sites

FDS · Fluorescin · ligand · 4 copies · chains A, B
FMT · Formic acid · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	727	0.70	0.77	47	FMT, FDS
2	609	0.69	0.78	38	FDS
3	162	0.43	0.74	21	empty
4	114	0.41	0.76	24	empty

Interfaces

1 interface between chains.

A–B · 438 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

7AUY · Structure of EstD11 in complex with Fluorescein · 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
Elsewhere: RCSB PDB 7AUY · PDBe 7AUY

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