MolNFT v1 · #117422 · protein

Acyl-CoA synthetase PTMA2 from streptomyces platensis

5E7Q: “Acyl-CoA synthetase PTMA2 from streptomyces platensis”. X-ray diffraction, 1 ligand (SO4), 14 pockets (best druggability 0.82). MolNFT v1 #117422 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5E7Q
Type: protein
Length: 1,018 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acyl-CoA synthetase
UniProt: A0A0A0V031
Ligands: SO4
Pockets: 14 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Acyl-CoA synthetase	protein	509	34% helix, 25% strand	A0A0A0V031

Ligands and binding sites

SO4 · Sulfate ion · ion · 19 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	314	0.82	0.93	53	empty
2	89	0.75	0.97	28	empty
3	78	0.73	0.96	23	empty
4	272	0.51	0.74	40	SO4
5	162	0.48	0.77	23	SO4

Interfaces

1 interface between chains.

A–B · 2104 Å² buried · 35 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 modified (engineered).

Compared structures

5E7Q · Acyl-CoA synthetase PtmA2 from Streptomyces platensis · 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 A0A0A0V031
Elsewhere: RCSB PDB 5E7Q · PDBe 5E7Q · UniProt A0A0A0V031

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