MolNFT v1 · #188565 · protein

Salicylate adenylate pchd from pseudomonas aeruginosa containing salicyl-ams

7TYB · Pyochelin biosynthesis protein pchd: “Salicylate adenylate pchd from pseudomonas aeruginosa containing salicyl-ams”. X-ray diffraction, 1 ligand (KT0), 5 pockets (best druggability 0.79). MolNFT v1 #188565 on GenesisL1: 3D…

PDB: 7TYB
Type: protein
Length: 523 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pyochelin biosynthesis protein pchd
UniProt: Q9HWG3
Ligands: KT0
Pockets: 5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pyochelin biosynthesis protein pchd	protein	523	35% helix, 25% strand	Q9HWG3

Ligands and binding sites

KT0 · 5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	695	0.79	0.84	77	KT0
2	244	0.54	0.76	32	empty
3	85	0.36	0.76	18	empty
4	61	0.33	0.77	14	empty
5	56	0.27	0.74	14	empty

Compared structures

7TYB · Salicylate Adenylate PchD from Pseudomonas aeruginosa containing salicyl-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 Q9HWG3
Elsewhere: RCSB PDB 7TYB · PDBe 7TYB · UniProt Q9HWG3

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