9BB0 | pdb_00009bb0

D-Dopachrome Tautomerase with 4-Hydroxyphenylpyruvate Bound in Catalytic Site at Atomic (0.98 Angstrom) Resolution

PDB DOI: https://doi.org/10.2210/pdb9BB0/pdb

Classification: CYTOKINE
Organism(s): Homo sapiens
Expression System: Escherichia coli BL21
Mutation(s): No

Deposited: 2024-04-05 Released: 2025-03-12
Deposition Author(s): Parkins, A., Argueta, C., Pantouris, G.
Funding Organization(s): Not funded

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 0.98 Å
R-Value Free:
0.147 (Depositor), 0.137 (DCC)
R-Value Work:
0.132 (Depositor), 0.127 (DCC)

Starting Model: experimental
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wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

D-Dopachrome Tautomerase with 4-Hydroxyphenylpyruvate Bound in Catalytic Site at Atomic (0.98 Angstrom) Resolution

Argueta, C., Parkins, A., Pantouris, G.

To be published.

Macromolecule Content

Total Structure Weight: 38.3 kDa
Atom Count: 3,384
Modelled Residue Count: 351
Deposited Residue Count: 351
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
D-dopachrome decarboxylase	A [auth AAA], B [auth BBB], C [auth CCC]	117	Homo sapiens	Mutation(s): 0 Gene Names: DDT EC: 4.1.1.84
UniProt & NIH Common Fund Data Resources
Find proteins for P30046 (Homo sapiens) Explore P30046 Go to UniProtKB: P30046
PHAROS: P30046 GTEx: ENSG00000099977
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P30046
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
ENO (Subject of Investigation/LOI) Query on ENO Download Ideal Coordinates CCD File SDF format, chain F [auth BBB] MOL2 format, chain F [auth BBB] mmCIF format, chain F [auth BBB]	F [auth BBB]	3-(4-HYDROXY-PHENYL)PYRUVIC ACID C₉ H₈ O₄ KKADPXVIOXHVKN-UHFFFAOYSA-N		Interactions Focus chain F [auth BBB] Interactions & Density Focus chain F [auth BBB]
EN1 (Subject of Investigation/LOI) Query on EN1 Download Ideal Coordinates CCD File SDF format, chain G [auth BBB] MOL2 format, chain G [auth BBB] mmCIF format, chain G [auth BBB]	G [auth BBB]	(2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid C₉ H₈ O₄ GQYBCIHRWMPOOF-VMPITWQZSA-N		Interactions Focus chain G [auth BBB] Interactions & Density Focus chain G [auth BBB]
NA Query on NA Download Ideal Coordinates CCD File SDF format, chain H [auth BBB] SDF format, chain I [auth BBB] SDF format, chain D [auth AAA] SDF format, chain E [auth AAA] SDF format, chain J [auth BBB] SDF format, chain K [auth CCC] SDF format, chain L [auth CCC] MOL2 format, chain H [auth BBB] MOL2 format, chain I [auth BBB] MOL2 format, chain D [auth AAA] MOL2 format, chain E [auth AAA] MOL2 format, chain J [auth BBB] MOL2 format, chain K [auth CCC] MOL2 format, chain L [auth CCC] mmCIF format, chain H [auth BBB] mmCIF format, chain I [auth BBB] mmCIF format, chain D [auth AAA] mmCIF format, chain E [auth AAA] mmCIF format, chain J [auth BBB] mmCIF format, chain K [auth CCC] mmCIF format, chain L [auth CCC]	D [auth AAA] E [auth AAA] H [auth BBB] I [auth BBB] J [auth BBB] D [auth AAA], E [auth AAA], H [auth BBB], I [auth BBB], J [auth BBB], K [auth CCC], L [auth CCC]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain D [auth AAA] Focus chain E [auth AAA] Focus chain H [auth BBB] Focus chain I [auth BBB] Focus chain J [auth BBB] Focus chain K [auth CCC] Focus chain L [auth CCC] Interactions & Density Focus chain D [auth AAA] Focus chain E [auth AAA] Focus chain H [auth BBB] Focus chain I [auth BBB] Focus chain J [auth BBB] Focus chain K [auth CCC] Focus chain L [auth CCC]