9IXL | pdb_00009ixl

Crystal structure of the CYP153A double mutant L354T/V456G from Marinobacter aquaeolei

PDB DOI: https://doi.org/10.2210/pdb9IXL/pdb

Classification: OXIDOREDUCTASE
Organism(s): Marinobacter nauticus
Expression System: Escherichia coli BL21(DE3)
Mutation(s): Yes

Deposited: 2024-07-29 Released: 2025-08-06
Deposition Author(s): Qin, M.M., Jiang, Y.P., Cong, Z.Q., Zhao, P.X.
Funding Organization(s): National Natural Science Foundation of China (NSFC)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.10 Å
R-Value Free:
0.219 (Depositor), 0.223 (DCC)
R-Value Work:
0.196 (Depositor), 0.198 (DCC)
R-Value Observed:
0.197 (Depositor)

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

Structure of the CYP153A double mutant L354T/V456G from Marinobacter aquaeolei at 2.10 Angstroms resolution

Qin, M.M., Jiang, Y.P., Cong, Z.Q., Zhao, P.X.

To be published.

Macromolecule Content

Total Structure Weight: 112.54 kDa
Atom Count: 7,163
Modeled Residue Count: 844
Deposited Residue Count: 960
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Cytochrome P450	A [auth B], B [auth A]	480	Marinobacter nauticus	Mutation(s): 2 Gene Names: DET51_1164
UniProt
Find proteins for A0A368UNN3 (Marinobacter nauticus) Explore A0A368UNN3 Go to UniProtKB: A0A368UNN3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A368UNN3
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
HEM Query on HEM Download Ideal Coordinates CCD File SDF format, chain C [auth B] SDF format, chain G [auth A] MOL2 format, chain C [auth B] MOL2 format, chain G [auth A] mmCIF format, chain C [auth B] mmCIF format, chain G [auth A]	C [auth B], G [auth A]	PROTOPORPHYRIN IX CONTAINING FE C₃₄ H₃₂ Fe N₄ O₄ KABFMIBPWCXCRK-RGGAHWMASA-L		Interactions Focus chain C [auth B] Focus chain G [auth A] Interactions & Density Focus chain C [auth B] Focus chain G [auth A]
DAO (Subject of Investigation/LOI) Query on DAO Download Ideal Coordinates CCD File SDF format, chain H [auth A] SDF format, chain D [auth B] MOL2 format, chain H [auth A] MOL2 format, chain D [auth B] mmCIF format, chain H [auth A] mmCIF format, chain D [auth B]	D [auth B], H [auth A]	LAURIC ACID C₁₂ H₂₄ O₂ POULHZVOKOAJMA-UHFFFAOYSA-N		Interactions Focus chain D [auth B] Focus chain H [auth A] Interactions & Density Focus chain D [auth B] Focus chain H [auth A]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain E [auth B] SDF format, chain F [auth B] SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain K [auth A] MOL2 format, chain E [auth B] MOL2 format, chain F [auth B] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] mmCIF format, chain E [auth B] mmCIF format, chain F [auth B] mmCIF format, chain I [auth A] mmCIF format, chain J [auth A] mmCIF format, chain K [auth A]	E [auth B], F [auth B], I [auth A], J [auth A], K [auth A]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain E [auth B] Focus chain F [auth B] Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Interactions & Density Focus chain E [auth B] Focus chain F [auth B] Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A]