8RP2

Aminodeoxychorismate synthase complex from Escherichia coli, with EDTA added

PDB DOI: https://doi.org/10.2210/pdb8RP2/pdb

Classification: TRANSFERASE
Organism(s): Escherichia coli
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2024-01-12 Released: 2025-01-29
Deposition Author(s): Sung, S., Funke, F.J., Schlee, S., Sterner, R., Wilmanns, M.
Funding Organization(s): H2020 Marie Curie Actions of the European Commission

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.98 Å
R-Value Free: 0.239
R-Value Work: 0.200

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

Activity regulation of the aminodeoxychorismate synthase bienzyme complex by glutaminase substrate-mediated subunit interface expansion

Sung, S., Funke, F.J., Schlee, S., Sterner, R., Wilmanns, M.

To be published.

Macromolecule Content

Total Structure Weight: 145.94 kDa
Atom Count: 10,492
Modelled Residue Count: 1,284
Deposited Residue Count: 1,286
Unique protein chains: 2

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Aminodeoxychorismate synthase component 2	A [auth AAA], B [auth BBB]	189	Escherichia coli	Mutation(s): 0 Gene Names: pabA, b3360, JW3323 EC: 2.6.1.85
UniProt
Find proteins for P00903 (Escherichia coli (strain K12)) Explore P00903 Go to UniProtKB: P00903
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P00903
Sequence Annotations Expand
Reference Sequence

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
Aminodeoxychorismate synthase component 1	C [auth CCC], D [auth DDD]	454	Escherichia coli	Mutation(s): 0 Gene Names: pabB, b1812, JW1801 EC: 2.6.1.85
UniProt
Find proteins for P05041 (Escherichia coli (strain K12)) Explore P05041 Go to UniProtKB: P05041
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P05041
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 6 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
TRP (Subject of Investigation/LOI) Query on TRP Download Ideal Coordinates CCD File SDF format, chain H [auth CCC] SDF format, chain R [auth DDD] MOL2 format, chain H [auth CCC] MOL2 format, chain R [auth DDD] mmCIF format, chain H [auth CCC] mmCIF format, chain R [auth DDD]	H [auth CCC], R [auth DDD]	TRYPTOPHAN C₁₁ H₁₂ N₂ O₂ QIVBCDIJIAJPQS-VIFPVBQESA-N		Interactions Focus chain H [auth CCC] Focus chain R [auth DDD] Interactions & Density Focus chain H [auth CCC] Focus chain R [auth DDD]
MES Query on MES Download Ideal Coordinates CCD File SDF format, chain O [auth CCC] SDF format, chain Y [auth DDD] MOL2 format, chain O [auth CCC] MOL2 format, chain Y [auth DDD] mmCIF format, chain O [auth CCC] mmCIF format, chain Y [auth DDD]	O [auth CCC], Y [auth DDD]	2-(N-MORPHOLINO)-ETHANESULFONIC ACID C₆ H₁₃ N O₄ S SXGZJKUKBWWHRA-UHFFFAOYSA-N		Interactions Focus chain O [auth CCC] Focus chain Y [auth DDD] Interactions & Density Focus chain O [auth CCC] Focus chain Y [auth DDD]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain AA [auth DDD] SDF format, chain F [auth AAA] SDF format, chain G [auth AAA] SDF format, chain Q [auth CCC] MOL2 format, chain AA [auth DDD] MOL2 format, chain F [auth AAA] MOL2 format, chain G [auth AAA] MOL2 format, chain Q [auth CCC] mmCIF format, chain AA [auth DDD] mmCIF format, chain F [auth AAA] mmCIF format, chain G [auth AAA] mmCIF format, chain Q [auth CCC]	AA [auth DDD], F [auth AAA], G [auth AAA], Q [auth CCC]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain AA [auth DDD] Focus chain F [auth AAA] Focus chain G [auth AAA] Focus chain Q [auth CCC] Interactions & Density Focus chain AA [auth DDD] Focus chain F [auth AAA] Focus chain G [auth AAA] Focus chain Q [auth CCC]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain P [auth CCC] SDF format, chain Z [auth DDD] MOL2 format, chain P [auth CCC] MOL2 format, chain Z [auth DDD] mmCIF format, chain P [auth CCC] mmCIF format, chain Z [auth DDD]	P [auth CCC], Z [auth DDD]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain P [auth CCC] Focus chain Z [auth DDD] Interactions & Density Focus chain P [auth CCC] Focus chain Z [auth DDD]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain E [auth AAA] SDF format, chain J [auth CCC] SDF format, chain K [auth CCC] SDF format, chain L [auth CCC] SDF format, chain M [auth CCC] SDF format, chain N [auth CCC] SDF format, chain U [auth DDD] SDF format, chain V [auth DDD] SDF format, chain W [auth DDD] SDF format, chain X [auth DDD] MOL2 format, chain E [auth AAA] MOL2 format, chain J [auth CCC] MOL2 format, chain K [auth CCC] MOL2 format, chain L [auth CCC] MOL2 format, chain M [auth CCC] MOL2 format, chain N [auth CCC] MOL2 format, chain U [auth DDD] MOL2 format, chain V [auth DDD] MOL2 format, chain W [auth DDD] MOL2 format, chain X [auth DDD] mmCIF format, chain E [auth AAA] mmCIF format, chain J [auth CCC] mmCIF format, chain K [auth CCC] mmCIF format, chain L [auth CCC] mmCIF format, chain M [auth CCC] mmCIF format, chain N [auth CCC] mmCIF format, chain U [auth DDD] mmCIF format, chain V [auth DDD] mmCIF format, chain W [auth DDD] mmCIF format, chain X [auth DDD]	E [auth AAA] J [auth CCC] K [auth CCC] L [auth CCC] M [auth CCC] E [auth AAA], J [auth CCC], K [auth CCC], L [auth CCC], M [auth CCC], N [auth CCC], U [auth DDD], V [auth DDD], W [auth DDD], X [auth DDD]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain E [auth AAA] Focus chain J [auth CCC] Focus chain K [auth CCC] Focus chain L [auth CCC] Focus chain M [auth CCC] Focus chain N [auth CCC] Focus chain U [auth DDD] Focus chain V [auth DDD] Focus chain W [auth DDD] Focus chain X [auth DDD] Interactions & Density Focus chain E [auth AAA] Focus chain J [auth CCC] Focus chain K [auth CCC] Focus chain L [auth CCC] Focus chain M [auth CCC] Focus chain N [auth CCC] Focus chain U [auth DDD] Focus chain V [auth DDD] Focus chain W [auth DDD] Focus chain X [auth DDD]
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain I [auth CCC] SDF format, chain S [auth DDD] SDF format, chain T [auth DDD] MOL2 format, chain I [auth CCC] MOL2 format, chain S [auth DDD] MOL2 format, chain T [auth DDD] mmCIF format, chain I [auth CCC] mmCIF format, chain S [auth DDD] mmCIF format, chain T [auth DDD]	I [auth CCC], S [auth DDD], T [auth DDD]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain I [auth CCC] Focus chain S [auth DDD] Focus chain T [auth DDD] Interactions & Density Focus chain I [auth CCC] Focus chain S [auth DDD] Focus chain T [auth DDD]