MolNFT v1 · #165469 · protein

Apo structure of the ectoine utilization protein eutd (doea) from halomonas elongata

6TWJ · Ectoine hydrolase doea: “Apo structure of the ectoine utilization protein eutd (doea) from halomonas elongata”. X-ray diffraction, 4 pockets (best druggability 0.76). MolNFT v1 #165469 on GenesisL1: 3D structure, binding sites and…

PDB: 6TWJ
Type: protein
Length: 776 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ectoine hydrolase doea
EC: 3.4.-.-
UniProt: A0A1B8NWR1
Pockets: 4 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ectoine hydrolase doea (EC 3.4.-.-)	protein	389	37% helix, 21% strand	A0A1B8NWR1
B	Ectoine hydrolase doea (EC 3.4.-.-)	protein	387	37% helix, 21% strand	A0A1B8NWR1

Pockets

4 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	646	0.76	0.82	63	empty
2	617	0.73	0.80	57	empty
3	407	0.72	0.83	44	empty
4	339	0.69	0.83	38	empty

Interfaces

1 interface between chains.

A–B · 2779 Å² buried · 41 hydrogen bonds · protein-protein

Compared structures

6TWJ · Apo structure of the Ectoine utilization protein EutD (DoeA) from Halomonas elongata · 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 A0A1B8NWR1
Elsewhere: RCSB PDB 6TWJ · PDBe 6TWJ · UniProt A0A1B8NWR1

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