MolNFT v1 · #90940 · protein

Crystal structure of solute binding protein of ABC transporter from rhodopseudomonas palustris HAA2 in complex with caffeic ACID/3-(4- hydroxy-PHENYL)PYRUVIC acid

4EYQ · Extracellular ligand-binding receptor: “Crystal structure of solute binding protein of ABC transporter from rhodopseudomonas palustris HAA2 in…”. X-ray diffraction, 2 ligands (ENO, DHC), 2 pockets (best druggability 0.35). MolNFT v1…

PDB: 4EYQ
Type: protein
Length: 361 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Extracellular ligand-binding receptor
UniProt: Q2IU40
Ligands: ENO, DHC
Pockets: 2 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Extracellular ligand-binding receptor	protein	361	46% helix, 20% strand	Q2IU40

Ligands and binding sites

ENO · 3-(4-hydroxy-phenyl)pyruvic acid · ligand · chains A
DHC · Caffeic acid · ligand · chains A

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

Pockets

2 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	91	0.35	0.74	22	empty
2	63	0.34	0.77	15	empty

Modifications

Observed in the structure: 9 modified (engineered).

Compared structures

4EYQ · Crystal structure of solute binding protein of ABC transporter from Rhodopseudomonas… · 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 Q2IU40
Elsewhere: RCSB PDB 4EYQ · PDBe 4EYQ · UniProt Q2IU40

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