MolNFT v1 · #150568 · protein

The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: facd 0MS after reaction initiation

6GXH · Fluoroacetate dehalogenase: “The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: facd 0MS after…”. X-ray diffraction, 2 pockets (best druggability 0.41). MolNFT v1 #150568 on GenesisL1: 3D…

PDB: 6GXH
Type: protein
Length: 594 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 0.41

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Fluoroacetate dehalogenase (EC 3.8.1.3)	protein	297	45% 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	142	0.41	0.74	26	empty
2	103	0.37	0.75	22	empty

Interfaces

1 interface between chains.

A–B · 1182 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6GXH · The hit-and-return system enables efficient time-resolved serial synchrotron… · 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 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 Q6NAM1
Elsewhere: RCSB PDB 6GXH · PDBe 6GXH · UniProt Q6NAM1

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