MolNFT v1 · #395 · protein

Phosphate-binding protein mutant A197C labelled with a coumarin fluorophore and bound to dihydrogenphosphate ion

1A54 · Phosphate-binding protein psts: “Phosphate-binding protein mutant A197C labelled with a coumarin fluorophore and bound to dihydrogenphosphate…”. X-ray diffraction, 2 ligands (MDC, 2HP), 3 pockets (best druggability 0.41). MolNFT v1…

PDB: 1A54
Type: protein
Length: 321 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphate-binding protein psts
UniProt: A0A4S1QQS5
Ligands: MDC, 2HP
Pockets: 3 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphate-binding protein psts	protein	321	39% helix, 22% strand	A0A4S1QQS5

Ligands and binding sites

MDC · N-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide · ligand · chains A
2HP · Dihydrogenphosphate ion · ion · chains A

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	55	0.41	0.82	15	empty
2	56	0.39	0.81	12	empty
3	64	0.29	0.73	16	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

1A54 · Phosphate-binding protein mutant A197C labelled with a coumarin fluorophore and bound to… · 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 A0A4S1QQS5
Elsewhere: RCSB PDB 1A54 · PDBe 1A54 · UniProt A0A4S1QQS5

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