MolNFT v1 · #93091 · protein

The crystal structure of acyl-CoA synthetase (AMP-FORMING)/AMP-acid ligase II-like protein from dyadobacter fermentans dsm 18053

4GS5: “The crystal structure of acyl-CoA synthetase (AMP-FORMING)/AMP-acid ligase II-like protein from dyadobacter…”. X-ray diffraction, 1 ligand (IOD), 2 pockets (best druggability 0.56). MolNFT v1 #93091 on GenesisL1: 3D structure…

PDB: 4GS5
Type: protein
Length: 350 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acyl-CoA synthetase (AMP-FORMING)/AMP-acid ligase II-like protein
UniProt: C6W5A4
Ligands: IOD
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acyl-CoA synthetase (AMP-FORMING)/AMP-acid ligase II-like protein	protein	350	33% helix, 30% strand	C6W5A4

Ligands and binding sites

IOD · Iodide ion · ion · 12 copies · chains A
EDO · 1,2-ethanediol · additive · 12 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	239	0.56	0.78	29	IOD, EDO
2	56	0.27	0.74	18	IOD

Modifications

Observed in the structure: 13 modified (engineered).

Compared structures

4GS5 · The crystal structure of acyl-CoA synthetase (AMP-forming)/AMP-acid ligase II-like… · 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 C6W5A4
Elsewhere: RCSB PDB 4GS5 · PDBe 4GS5 · UniProt C6W5A4

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