MolNFT v1 · #33283 · protein

Crystal structure of SDSA1, an alkylsulfatase from pseudomonas aeruginosa, in complex with 1-decane-sulfonic- acid.

2CFU: “Crystal structure of SDSA1, an alkylsulfatase from pseudomonas aeruginosa, in complex with 1-decane-sulfonic…”. X-ray diffraction, 2 ligands (1DB, ZN), 4 pockets (best druggability 0.74). MolNFT v1 #33283 on GenesisL1: 3D structure…

PDB: 2CFU
Type: protein
Length: 627 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SDSA1
UniProt: Q9I5I9
Ligands: 1DB, ZN
Pockets: 4 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SDSA1	protein	627	41% helix, 17% strand	Q9I5I9

Ligands and binding sites

1DB · 1-decane-sulfonic-acid · ligand · chains A
ZN · Zinc ion · metal · 2 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A
IPA · Isopropyl alcohol · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1147	0.74	0.77	81	1DB, PEG, IPA
2	968	0.74	0.77	61	PEG
3	200	0.60	0.80	26	PEG
4	99	0.40	0.76	18	empty

Compared structures

2CFU · Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex… · 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 Q9I5I9
Elsewhere: RCSB PDB 2CFU · PDBe 2CFU · UniProt Q9I5I9

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