MolNFT v1 · #66212 · protein

Crystal structure of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 3-methylcatechol

3HJQ: “Crystal structure of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 3-methylcatechol”. X-ray diffraction, 3 ligands (6PL, MBD, FE). MolNFT v1 #66212 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3HJQ
Type: protein
Length: 256 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Catechol 1,2-dioxygenase
EC: 1.13.11.1
UniProt: P95607
Ligands: 6PL, MBD, FE

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Catechol 1,2-dioxygenase (EC 1.13.11.1)	protein	256	26% helix, 25% strand	P95607

Ligands and binding sites

6PL · (4S,7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide · ligand · chains A
MBD · 3-methylcatechol · ligand · chains A
FE · Fe (III) ion · metal · chains A

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

Compared structures

3HJQ · Crystal structure of catechol 1,2-dioxygenase from Rhodococcus opacus 1CP in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
P95607 · AlphaFold monomer V2.0 prediction for catechol 1,2-dioxygenase (P95607) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P95607
Elsewhere: RCSB PDB 3HJQ · PDBe 3HJQ · UniProt P95607

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