9H8Q

Eugenol Oxidase (EUGO)from Rhodococcus jostii RHA1, mutant DTT-T425G

PDB DOI: https://doi.org/10.2210/pdb9H8Q/pdb

Classification: OXIDOREDUCTASE
Organism(s): Rhodococcus jostii RHA1
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2024-10-29 Released: 2024-12-18
Deposition Author(s): Rozeboom, H.J., Fraaije, M.W.
Funding Organization(s): Not funded

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.60 Å
R-Value Free: 0.198
R-Value Work: 0.177
R-Value Observed: 0.178

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Biocatalytic Cleavage of Para-Acetoxy Benzyl Ethers: Application to Protecting Group Chemistry

Ashley, B., Demingo, C., Rozeboom, H.J., Bianciardi, N., Fraaije, M.W.

To be published.

Macromolecule Content

Total Structure Weight: 478.72 kDa
Atom Count: 36,661
Modelled Residue Count: 4,200
Deposited Residue Count: 4,208
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Probable vanillyl-alcohol oxidase	A, B, C, D, E A, B, C, D, E, F, G, H	526	Rhodococcus jostii RHA1	Mutation(s): 8 Gene Names: RHA1_ro03282 EC: 1.1.3.38
UniProt
Find proteins for Q0SBK1 (Rhodococcus jostii (strain RHA1)) Explore Q0SBK1 Go to UniProtKB: Q0SBK1
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q0SBK1
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
FAD Query on FAD Download Ideal Coordinates CCD File SDF format, chain BA [auth H] SDF format, chain I [auth A] SDF format, chain M [auth B] SDF format, chain P [auth C] SDF format, chain R [auth D] SDF format, chain T [auth E] SDF format, chain U [auth F] SDF format, chain Z [auth G] MOL2 format, chain BA [auth H] MOL2 format, chain I [auth A] MOL2 format, chain M [auth B] MOL2 format, chain P [auth C] MOL2 format, chain R [auth D] MOL2 format, chain T [auth E] MOL2 format, chain U [auth F] MOL2 format, chain Z [auth G] mmCIF format, chain BA [auth H] mmCIF format, chain I [auth A] mmCIF format, chain M [auth B] mmCIF format, chain P [auth C] mmCIF format, chain R [auth D] mmCIF format, chain T [auth E] mmCIF format, chain U [auth F] mmCIF format, chain Z [auth G]	BA [auth H] I [auth A] M [auth B] P [auth C] R [auth D] BA [auth H], I [auth A], M [auth B], P [auth C], R [auth D], T [auth E], U [auth F], Z [auth G]	FLAVIN-ADENINE DINUCLEOTIDE C₂₇ H₃₃ N₉ O₁₅ P₂ VWWQXMAJTJZDQX-UYBVJOGSSA-N		Interactions Focus chain BA [auth H] Focus chain I [auth A] Focus chain M [auth B] Focus chain P [auth C] Focus chain R [auth D] Focus chain T [auth E] Focus chain U [auth F] Focus chain Z [auth G] Interactions & Density Focus chain BA [auth H] Focus chain I [auth A] Focus chain M [auth B] Focus chain P [auth C] Focus chain R [auth D] Focus chain T [auth E] Focus chain U [auth F] Focus chain Z [auth G]
B3P Query on B3P Download Ideal Coordinates CCD File SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain V [auth F] SDF format, chain X [auth F] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain V [auth F] MOL2 format, chain X [auth F] mmCIF format, chain J [auth A] mmCIF format, chain K [auth A] mmCIF format, chain V [auth F] mmCIF format, chain X [auth F]	J [auth A], K [auth A], V [auth F], X [auth F]	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL C₁₁ H₂₆ N₂ O₆ HHKZCCWKTZRCCL-UHFFFAOYSA-N		Interactions Focus chain J [auth A] Focus chain K [auth A] Focus chain V [auth F] Focus chain X [auth F] Interactions & Density Focus chain J [auth A] Focus chain K [auth A] Focus chain V [auth F] Focus chain X [auth F]
MPD Query on MPD Download Ideal Coordinates CCD File SDF format, chain AA [auth H] SDF format, chain L [auth A] SDF format, chain N [auth B] SDF format, chain Q [auth C] SDF format, chain S [auth D] SDF format, chain W [auth F] MOL2 format, chain AA [auth H] MOL2 format, chain L [auth A] MOL2 format, chain N [auth B] MOL2 format, chain Q [auth C] MOL2 format, chain S [auth D] MOL2 format, chain W [auth F] mmCIF format, chain AA [auth H] mmCIF format, chain L [auth A] mmCIF format, chain N [auth B] mmCIF format, chain Q [auth C] mmCIF format, chain S [auth D] mmCIF format, chain W [auth F]	AA [auth H] L [auth A] N [auth B] Q [auth C] S [auth D] AA [auth H], L [auth A], N [auth B], Q [auth C], S [auth D], W [auth F]	(4S)-2-METHYL-2,4-PENTANEDIOL C₆ H₁₄ O₂ SVTBMSDMJJWYQN-YFKPBYRVSA-N		Interactions Focus chain AA [auth H] Focus chain L [auth A] Focus chain N [auth B] Focus chain Q [auth C] Focus chain S [auth D] Focus chain W [auth F] Interactions & Density Focus chain AA [auth H] Focus chain L [auth A] Focus chain N [auth B] Focus chain Q [auth C] Focus chain S [auth D] Focus chain W [auth F]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain O [auth B] SDF format, chain Y [auth F] MOL2 format, chain O [auth B] MOL2 format, chain Y [auth F] mmCIF format, chain O [auth B] mmCIF format, chain Y [auth F]	O [auth B], Y [auth F]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain O [auth B] Focus chain Y [auth F] Interactions & Density Focus chain O [auth B] Focus chain Y [auth F]