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Crystal structure of a putative thioesterase

Analyse Crystal structure of a putative thioesterase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1VH5
Type: protein
Length: 276 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein ydii
UniProt: P77781
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hypothetical protein ydii	protein	138	20% helix, 41% strand	P77781

Pockets

2 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	251	0.70	0.85	34	empty
2	279	0.69	0.84	35	empty

Interfaces

1 interface between chains.

A–B · 1233 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

1VH5 · Crystal structure of a putative thioesterase · the same entry in another collection · chain A against A, TM-score 1.00
P77781 · AlphaFold monomer V2.0 prediction for 1,4-dihydroxy-2-naphthoyl-CoA hydrolase (P77781) · a predicted model of the same protein · chain A 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 P77781
Elsewhere: RCSB PDB 1VH5 · PDBe 1VH5 · UniProt P77781

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