9GHL | pdb_00009ghl

Fe(II)-2-oxoglutarate-dependent pseudomonal iron uptake factor C in complex with malate

PDB DOI: https://doi.org/10.2210/pdb9GHL/pdb

Classification: OXIDOREDUCTASE
Organism(s): Pseudomonas aeruginosa
Expression System: Escherichia coli BL21(DE3)
Mutation(s): No

Deposited: 2024-08-15 Released: 2025-08-27
Deposition Author(s): Alshref, F.M., Allen, M.D., Sanguankiattichai, N., Zaborskyte, G., Schofield, C.J.
Funding Organization(s): Saudi Ministry of Education

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.00 Å
R-Value Free:
0.208 (Depositor), 0.207 (DCC)
R-Value Work:
0.183 (Depositor), 0.183 (DCC)
R-Value Observed:
0.183 (Depositor)

Starting Model: in silico
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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

Fe(II)-2-oxoglutarate-dependent pseudomonal iron uptake factor C in complex with malate

Alshref, F.M., Allen, M.D., Sanguankiattichai, N., Zaborskyte, G., Schofield, C.J.

To be published.

Macromolecule Content

Total Structure Weight: 154.82 kDa
Atom Count: 11,995
Modeled Residue Count: 1,350
Deposited Residue Count: 1,350
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
PKHD-type hydroxylase PiuC	A, B, C, D, E A, B, C, D, E, F	225	Pseudomonas aeruginosa	Mutation(s): 0 Gene Names: piuC, PA4515 EC: 1.14.11
UniProt
Find proteins for Q9HVQ7 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)) Explore Q9HVQ7 Go to UniProtKB: Q9HVQ7
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9HVQ7
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
MLT (Subject of Investigation/LOI) Query on MLT Download Ideal Coordinates CCD File SDF format, chain G [auth A] SDF format, chain J [auth B] SDF format, chain L [auth C] SDF format, chain N [auth D] SDF format, chain Q [auth E] SDF format, chain S [auth F] MOL2 format, chain G [auth A] MOL2 format, chain J [auth B] MOL2 format, chain L [auth C] MOL2 format, chain N [auth D] MOL2 format, chain Q [auth E] MOL2 format, chain S [auth F] mmCIF format, chain G [auth A] mmCIF format, chain J [auth B] mmCIF format, chain L [auth C] mmCIF format, chain N [auth D] mmCIF format, chain Q [auth E] mmCIF format, chain S [auth F]	G [auth A] J [auth B] L [auth C] N [auth D] Q [auth E] G [auth A], J [auth B], L [auth C], N [auth D], Q [auth E], S [auth F]	D-MALATE C₄ H₆ O₅ BJEPYKJPYRNKOW-UWTATZPHSA-N		Interactions Focus chain G [auth A] Focus chain J [auth B] Focus chain L [auth C] Focus chain N [auth D] Focus chain Q [auth E] Focus chain S [auth F] Interactions & Density Focus chain G [auth A] Focus chain J [auth B] Focus chain L [auth C] Focus chain N [auth D] Focus chain Q [auth E] Focus chain S [auth F]
PEG Query on PEG Download Ideal Coordinates CCD File SDF format, chain I [auth A] SDF format, chain K [auth B] SDF format, chain M [auth C] SDF format, chain P [auth D] SDF format, chain R [auth E] SDF format, chain U [auth F] MOL2 format, chain I [auth A] MOL2 format, chain K [auth B] MOL2 format, chain M [auth C] MOL2 format, chain P [auth D] MOL2 format, chain R [auth E] MOL2 format, chain U [auth F] mmCIF format, chain I [auth A] mmCIF format, chain K [auth B] mmCIF format, chain M [auth C] mmCIF format, chain P [auth D] mmCIF format, chain R [auth E] mmCIF format, chain U [auth F]	I [auth A] K [auth B] M [auth C] P [auth D] R [auth E] I [auth A], K [auth B], M [auth C], P [auth D], R [auth E], U [auth F]	DI(HYDROXYETHYL)ETHER C₄ H₁₀ O₃ MTHSVFCYNBDYFN-UHFFFAOYSA-N		Interactions Focus chain I [auth A] Focus chain K [auth B] Focus chain M [auth C] Focus chain P [auth D] Focus chain R [auth E] Focus chain U [auth F] Interactions & Density Focus chain I [auth A] Focus chain K [auth B] Focus chain M [auth C] Focus chain P [auth D] Focus chain R [auth E] Focus chain U [auth F]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain H [auth A] SDF format, chain O [auth D] SDF format, chain T [auth F] MOL2 format, chain H [auth A] MOL2 format, chain O [auth D] MOL2 format, chain T [auth F] mmCIF format, chain H [auth A] mmCIF format, chain O [auth D] mmCIF format, chain T [auth F]	H [auth A], O [auth D], T [auth F]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain H [auth A] Focus chain O [auth D] Focus chain T [auth F] Interactions & Density Focus chain H [auth A] Focus chain O [auth D] Focus chain T [auth F]