MolNFT v1 · #102626 · protein

Crystal structure of zebra fish thioesterase superfamily member 2

4ORD: “Crystal structure of zebra fish thioesterase superfamily member 2”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #102626 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ORD
Type: protein
Length: 552 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thioesterase superfamily member 2
EC: 3.1.2.-
UniProt: F6P1Y9
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Thioesterase superfamily member 2 (EC 3.1.2.-)	protein	138	25% helix, 41% strand	F6P1Y9

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	647	0.69	0.77	49	empty
2	614	0.69	0.78	46	empty
3	63	0.43	0.81	13	empty
4	54	0.42	0.81	10	empty

Interfaces

3 interfaces between chains.

A–D · 630 Å² buried · 12 hydrogen bonds · protein-protein
B–C · 626 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 512 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4ORD · Crystal Structure of Zebra Fish Thioesterase Superfamily Member 2 · 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 F6P1Y9
Elsewhere: RCSB PDB 4ORD · PDBe 4ORD · UniProt F6P1Y9

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