MolNFT v1 · #128835 · protein

An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation

5O2I · Fluoroacetate dehalogenase: “An efficient setup for fixed-target, time-resolved serial crystallography with optical excitation”. X-ray diffraction, 2 pockets (best druggability 0.42). MolNFT v1 #128835 on GenesisL1: 3D structure…

PDB: 5O2I
Type: protein
Length: 595 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fluoroacetate dehalogenase
EC: 3.8.1.3
UniProt: Q6NAM1
Pockets: 2 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fluoroacetate dehalogenase (EC 3.8.1.3)	protein	297	45% helix, 16% strand	Q6NAM1
B	Fluoroacetate dehalogenase (EC 3.8.1.3)	protein	298	47% helix, 16% strand	Q6NAM1

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	148	0.42	0.75	27	empty
2	125	0.41	0.75	23	empty

Interfaces

1 interface between chains.

A–B · 1175 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

5O2I · An efficient setup for fixed-target, time-resolved serial crystallography with optical… · the same entry in another collection · chain A against A, TM-score 1.00
Q6NAM1 · AlphaFold monomer V2.0 prediction for fluoroacetate dehalogenase (Q6NAM1) · a predicted model of the same protein · chain B 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 Q6NAM1
Elsewhere: RCSB PDB 5O2I · PDBe 5O2I · UniProt Q6NAM1

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