MolNFT v1 · #173238 · protein

Structure of ESTD11 in complex with P-nitrophenol

7ATF: “Structure of ESTD11 in complex with P-nitrophenol”. X-ray diffraction, 1 ligand (NPO), 3 pockets (best druggability 0.80). MolNFT v1 #173238 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7ATF
Type: protein
Length: 590 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ESTD11
Ligands: NPO
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ESTD11	protein	295	45% helix, 17% strand	—

Ligands and binding sites

NPO · P-nitrophenol · ligand · 2 copies · chains A, B
FMT · Formic acid · additive · 19 copies · chains A, B
ACT · Acetate ion · additive · 3 copies · chains A, B

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

Pockets

3 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	250	0.80	0.92	37	NPO, FMT
2	299	0.79	0.90	43	FMT, NPO
3	497	0.66	0.77	67	FMT

Interfaces

1 interface between chains.

A–B · 470 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

7ATF · Structure of EstD11 in complex with p-Nitrophenol · 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 7ATF · PDBe 7ATF

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