8RP1

Aminodeoxychorismate synthase complex from Escherichia coli, with glutamine added

PDB DOI: https://doi.org/10.2210/pdb8RP1/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., Franziska, J.F., 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: 1.86 Å
R-Value Free: 0.201
R-Value Work: 0.167

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., Franziska, J.F., Schlee, S., Sterner, R., Wilmanns, M.

To be published.

Macromolecule Content

Total Structure Weight: 147.99 kDa
Atom Count: 10,978
Modelled Residue Count: 1,287
Deposited Residue Count: 1,288
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]	188	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]	456	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 7 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 IA [auth DDD] SDF format, chain N [auth CCC] MOL2 format, chain IA [auth DDD] MOL2 format, chain N [auth CCC] mmCIF format, chain IA [auth DDD] mmCIF format, chain N [auth CCC]	IA [auth DDD], N [auth CCC]	TRYPTOPHAN C₁₁ H₁₂ N₂ O₂ QIVBCDIJIAJPQS-VIFPVBQESA-N		Interactions Focus chain IA [auth DDD] Focus chain N [auth CCC] Interactions & Density Focus chain IA [auth DDD] Focus chain N [auth CCC]
MES Query on MES Download Ideal Coordinates CCD File SDF format, chain AA [auth CCC] SDF format, chain M [auth AAA] SDF format, chain PA [auth DDD] SDF format, chain Y [auth CCC] SDF format, chain Z [auth CCC] MOL2 format, chain AA [auth CCC] MOL2 format, chain M [auth AAA] MOL2 format, chain PA [auth DDD] MOL2 format, chain Y [auth CCC] MOL2 format, chain Z [auth CCC] mmCIF format, chain AA [auth CCC] mmCIF format, chain M [auth AAA] mmCIF format, chain PA [auth DDD] mmCIF format, chain Y [auth CCC] mmCIF format, chain Z [auth CCC]	AA [auth CCC], M [auth AAA], PA [auth DDD], Y [auth CCC], Z [auth CCC]	2-(N-MORPHOLINO)-ETHANESULFONIC ACID C₆ H₁₃ N O₄ S SXGZJKUKBWWHRA-UHFFFAOYSA-N		Interactions Focus chain AA [auth CCC] Focus chain M [auth AAA] Focus chain PA [auth DDD] Focus chain Y [auth CCC] Focus chain Z [auth CCC] Interactions & Density Focus chain AA [auth CCC] Focus chain M [auth AAA] Focus chain PA [auth DDD] Focus chain Y [auth CCC] Focus chain Z [auth CCC]
GLU (Subject of Investigation/LOI) Query on GLU Download Ideal Coordinates CCD File SDF format, chain E [auth AAA] MOL2 format, chain E [auth AAA] mmCIF format, chain E [auth AAA]	E [auth AAA]	GLUTAMIC ACID C₅ H₉ N O₄ WHUUTDBJXJRKMK-VKHMYHEASA-N		Interactions Focus chain E [auth AAA] Interactions & Density Focus chain E [auth AAA]
SO4 Query on SO4 Download Ideal Coordinates CCD File SDF format, chain EA [auth CCC] SDF format, chain FA [auth CCC] SDF format, chain GA [auth CCC] SDF format, chain HA [auth CCC] SDF format, chain I [auth AAA] SDF format, chain J [auth AAA] SDF format, chain K [auth AAA] SDF format, chain L [auth AAA] SDF format, chain SA [auth DDD] SDF format, chain TA [auth DDD] MOL2 format, chain EA [auth CCC] MOL2 format, chain FA [auth CCC] MOL2 format, chain GA [auth CCC] MOL2 format, chain HA [auth CCC] MOL2 format, chain I [auth AAA] MOL2 format, chain J [auth AAA] MOL2 format, chain K [auth AAA] MOL2 format, chain L [auth AAA] MOL2 format, chain SA [auth DDD] MOL2 format, chain TA [auth DDD] mmCIF format, chain EA [auth CCC] mmCIF format, chain FA [auth CCC] mmCIF format, chain GA [auth CCC] mmCIF format, chain HA [auth CCC] mmCIF format, chain I [auth AAA] mmCIF format, chain J [auth AAA] mmCIF format, chain K [auth AAA] mmCIF format, chain L [auth AAA] mmCIF format, chain SA [auth DDD] mmCIF format, chain TA [auth DDD]	EA [auth CCC] FA [auth CCC] GA [auth CCC] HA [auth CCC] I [auth AAA] EA [auth CCC], FA [auth CCC], GA [auth CCC], HA [auth CCC], I [auth AAA], J [auth AAA], K [auth AAA], L [auth AAA], SA [auth DDD], TA [auth DDD]	SULFATE ION O₄ S QAOWNCQODCNURD-UHFFFAOYSA-L		Interactions Focus chain EA [auth CCC] Focus chain FA [auth CCC] Focus chain GA [auth CCC] Focus chain HA [auth CCC] Focus chain I [auth AAA] Focus chain J [auth AAA] Focus chain K [auth AAA] Focus chain L [auth AAA] Focus chain SA [auth DDD] Focus chain TA [auth DDD] Interactions & Density Focus chain EA [auth CCC] Focus chain FA [auth CCC] Focus chain GA [auth CCC] Focus chain HA [auth CCC] Focus chain I [auth AAA] Focus chain J [auth AAA] Focus chain K [auth AAA] Focus chain L [auth AAA] Focus chain SA [auth DDD] Focus chain TA [auth DDD]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain BA [auth CCC] SDF format, chain CA [auth CCC] SDF format, chain DA [auth CCC] SDF format, chain QA [auth DDD] SDF format, chain RA [auth DDD] MOL2 format, chain BA [auth CCC] MOL2 format, chain CA [auth CCC] MOL2 format, chain DA [auth CCC] MOL2 format, chain QA [auth DDD] MOL2 format, chain RA [auth DDD] mmCIF format, chain BA [auth CCC] mmCIF format, chain CA [auth CCC] mmCIF format, chain DA [auth CCC] mmCIF format, chain QA [auth DDD] mmCIF format, chain RA [auth DDD]	BA [auth CCC], CA [auth CCC], DA [auth CCC], QA [auth DDD], RA [auth DDD]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain BA [auth CCC] Focus chain CA [auth CCC] Focus chain DA [auth CCC] Focus chain QA [auth DDD] Focus chain RA [auth DDD] Interactions & Density Focus chain BA [auth CCC] Focus chain CA [auth CCC] Focus chain DA [auth CCC] Focus chain QA [auth DDD] Focus chain RA [auth DDD]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain F [auth AAA] SDF format, chain G [auth AAA] SDF format, chain H [auth AAA] SDF format, chain KA [auth DDD] SDF format, chain LA [auth DDD] SDF format, chain MA [auth DDD] SDF format, chain NA [auth DDD] SDF format, chain OA [auth DDD] SDF format, chain Q [auth CCC] SDF format, chain R [auth CCC] SDF format, chain S [auth CCC] SDF format, chain T [auth CCC] SDF format, chain U [auth CCC] SDF format, chain V [auth CCC] SDF format, chain W [auth CCC] SDF format, chain X [auth CCC] MOL2 format, chain F [auth AAA] MOL2 format, chain G [auth AAA] MOL2 format, chain H [auth AAA] MOL2 format, chain KA [auth DDD] MOL2 format, chain LA [auth DDD] MOL2 format, chain MA [auth DDD] MOL2 format, chain NA [auth DDD] MOL2 format, chain OA [auth DDD] MOL2 format, chain Q [auth CCC] MOL2 format, chain R [auth CCC] MOL2 format, chain S [auth CCC] MOL2 format, chain T [auth CCC] MOL2 format, chain U [auth CCC] MOL2 format, chain V [auth CCC] MOL2 format, chain W [auth CCC] MOL2 format, chain X [auth CCC] mmCIF format, chain F [auth AAA] mmCIF format, chain G [auth AAA] mmCIF format, chain H [auth AAA] mmCIF format, chain KA [auth DDD] mmCIF format, chain LA [auth DDD] mmCIF format, chain MA [auth DDD] mmCIF format, chain NA [auth DDD] mmCIF format, chain OA [auth DDD] mmCIF format, chain Q [auth CCC] mmCIF format, chain R [auth CCC] mmCIF format, chain S [auth CCC] mmCIF format, chain T [auth CCC] mmCIF format, chain U [auth CCC] mmCIF format, chain V [auth CCC] mmCIF format, chain W [auth CCC] mmCIF format, chain X [auth CCC]	F [auth AAA] G [auth AAA] H [auth AAA] KA [auth DDD] LA [auth DDD] F [auth AAA], G [auth AAA], H [auth AAA], KA [auth DDD], LA [auth DDD], MA [auth DDD], NA [auth DDD], OA [auth DDD], Q [auth CCC], R [auth CCC], S [auth CCC], T [auth CCC], U [auth CCC], V [auth CCC], W [auth CCC], X [auth CCC]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain F [auth AAA] Focus chain G [auth AAA] Focus chain H [auth AAA] Focus chain KA [auth DDD] Focus chain LA [auth DDD] Focus chain MA [auth DDD] Focus chain NA [auth DDD] Focus chain OA [auth DDD] Focus chain Q [auth CCC] Focus chain R [auth CCC] Focus chain S [auth CCC] Focus chain T [auth CCC] Focus chain U [auth CCC] Focus chain V [auth CCC] Focus chain W [auth CCC] Focus chain X [auth CCC] Interactions & Density Focus chain F [auth AAA] Focus chain G [auth AAA] Focus chain H [auth AAA] Focus chain KA [auth DDD] Focus chain LA [auth DDD] Focus chain MA [auth DDD] Focus chain NA [auth DDD] Focus chain OA [auth DDD] Focus chain Q [auth CCC] Focus chain R [auth CCC] Focus chain S [auth CCC] Focus chain T [auth CCC] Focus chain U [auth CCC] Focus chain V [auth CCC] Focus chain W [auth CCC] Focus chain X [auth CCC]
MG Query on MG Download Ideal Coordinates CCD File SDF format, chain JA [auth DDD] SDF format, chain O [auth CCC] SDF format, chain P [auth CCC] MOL2 format, chain JA [auth DDD] MOL2 format, chain O [auth CCC] MOL2 format, chain P [auth CCC] mmCIF format, chain JA [auth DDD] mmCIF format, chain O [auth CCC] mmCIF format, chain P [auth CCC]	JA [auth DDD], O [auth CCC], P [auth CCC]	MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N		Interactions Focus chain JA [auth DDD] Focus chain O [auth CCC] Focus chain P [auth CCC] Interactions & Density Focus chain JA [auth DDD] Focus chain O [auth CCC] Focus chain P [auth CCC]