MolNFT v1 · #47127 · protein

Ywhb binary complex with 2-fluoro-P-hydroxycinnamate

2OPA · Probable tautomerase ywhb: “Ywhb binary complex with 2-fluoro-P-hydroxycinnamate”. X-ray diffraction, 1 ligand (FHC). MolNFT v1 #47127 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2OPA
Type: protein
Length: 122 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable tautomerase ywhb
EC: 5.3.2.-
UniProt: P70994
Ligands: FHC

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Probable tautomerase ywhb (EC 5.3.2.-)	protein	61	46% helix, 30% strand	P70994

Ligands and binding sites

FHC · 2-fluoro-3-(4-hydroxyphenyl)-2E-propeneoate · ligand · chains A, B

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

Interfaces

1 interface between chains.

A–B · 905 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

2OPA · YwhB binary complex with 2-Fluoro-p-hydroxycinnamate · the same entry in another collection · chain A against A, TM-score 1.00
P70994 · AlphaFold monomer V2.0 prediction for 2-hydroxymuconate tautomerase (P70994) · a predicted model of the same protein · chain B against A, TM-score 0.94

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 P70994
Elsewhere: RCSB PDB 2OPA · PDBe 2OPA · UniProt P70994

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