MolNFT v1 · #188583 · protein

Salicylate adenylate pchd from pseudomonas aeruginosa containing 4- cyanosalicyl-ams

7TZ4 · Pyochelin biosynthesis salicyl-AMP ligase pchd: “Salicylate adenylate pchd from pseudomonas aeruginosa containing 4- cyanosalicyl-ams”. X-ray diffraction, 1 ligand (KUX), 6 pockets (best druggability 0.83). MolNFT v1 #188583 on…

PDB: 7TZ4
Type: protein
Length: 530 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pyochelin biosynthesis salicyl-AMP ligase pchd
EC: 2.7.7.-
UniProt: A0A8A4FQG3
Ligands: KUX
Pockets: 6 · best druggability 0.83

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pyochelin biosynthesis salicyl-AMP ligase pchd (EC 2.7.7.-)	protein	530	34% helix, 25% strand	A0A8A4FQG3

Ligands and binding sites

KUX · 5'-O-[(4-cyano-2-hydroxybenzoyl)sulfamoyl]adenosine · ligand · chains A

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

Pockets

6 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	746	0.83	0.86	84	KUX
2	168	0.49	0.77	22	empty
3	131	0.41	0.75	24	empty
4	70	0.38	0.78	19	empty
5	62	0.32	0.75	13	empty

Compared structures

7TZ4 · Salicylate Adenylate PchD from Pseudomonas aeruginosa containing 4-cyanosalicyl-AMS · 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 A0A8A4FQG3
Elsewhere: RCSB PDB 7TZ4 · PDBe 7TZ4 · UniProt A0A8A4FQG3

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