MolNFT v1 · #122787 · protein

Crystal structure of a marine metagenome trap solute binding protein specific for aromatic acid ligands (sorcerer II global ocean sampling expedition, unidentified microbe, locus tag GOS_1523157, triple surface mutant K158A_K223A_K313A) in complex with metahydroxyphenylacetate, thermal exchange of ligand

5IZZ · Trap transporter solute binding protein: “Crystal structure of a marine metagenome trap solute binding protein specific for aromatic acid ligands…”. X-ray diffraction, 1 ligand (3HP), 3 pockets (best druggability 0.73). MolNFT v1…

PDB: 5IZZ
Type: protein
Length: 318 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Trap transporter solute binding protein
Ligands: 3HP
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Trap transporter solute binding protein	protein	318	51% helix, 19% strand	—

Ligands and binding sites

3HP · 3-hydroxyphenylacetate · ligand · chains A
PEG · Di(hydroxyethyl)ether · additive · 5 copies · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	56	0.73	0.98	17	3HP
2	89	0.53	0.85	25	empty
3	67	0.28	0.72	20	empty

Compared structures

5IZZ · Crystal structure of a marine metagenome TRAP solute binding protein specific for… · 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
Elsewhere: RCSB PDB 5IZZ · PDBe 5IZZ

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