7UBZ

Chymotrypsin digested toxin/immunity complex for a T6SS lipase effector from E. cloacae

PDB DOI: https://doi.org/10.2210/pdb7UBZ/pdb

Classification: TOXIN/IMMUNE SYSTEM
Organism(s): Enterobacter cloacae
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2022-03-15 Released: 2022-08-24
Deposition Author(s): Cuthbert, B.J., Jensen, S.J., Goulding, C.W., Hayes, C.S.
Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.75 Å
R-Value Free: 0.188
R-Value Work: 0.164
R-Value Observed: 0.167

wwPDB Validation 3D Report Full Report

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

Literature

Toxin/immunity complex for a T6SS lipase effector from E. cloacae

Cuthbert, B.J., Goulding, C.W., Hayes, C.S.

To be published.

Macromolecule Content

Total Structure Weight: 119.81 kDa
Atom Count: 7,837
Modelled Residue Count: 853
Deposited Residue Count: 1,086
Unique protein chains: 2

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Ankyrin repeat domain-containing protein	A, B [auth C]	230	Enterobacter cloacae	Mutation(s): 0 Gene Names: I6L61_16350
UniProt
Find proteins for A0A0H3CKN4 (Enterobacter cloacae subsp. cloacae (strain ATCC 13047 / DSM 30054 / NBRC 13535 / NCTC 10005 / WDCM 00083 / NCDC 279-56)) Explore A0A0H3CKN4 Go to UniProtKB: A0A0H3CKN4
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A0H3CKN4
Sequence Annotations Expand
Reference Sequence

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
T6SS lipase effector	C [auth B], D	313	Enterobacter cloacae	Mutation(s): 0 Gene Names: NCTC10005_04014
UniProt
Find proteins for A0A0M7ENE2 (Enterobacter cloacae) Explore A0A0M7ENE2 Go to UniProtKB: A0A0M7ENE2
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	A0A0M7ENE2
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 3 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
FLC Query on FLC Download Ideal Coordinates CCD File SDF format, chain H [auth C] MOL2 format, chain H [auth C]	H [auth C]	CITRATE ANION C₆ H₅ O₇ KRKNYBCHXYNGOX-UHFFFAOYSA-K		Interactions Focus chain H [auth C] Interactions & Density Focus chain H [auth C]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain E [auth A] SDF format, chain F [auth A] SDF format, chain G [auth A] SDF format, chain I [auth C] SDF format, chain J [auth B] SDF format, chain L [auth B] SDF format, chain M [auth B] SDF format, chain O [auth D] SDF format, chain P [auth D] MOL2 format, chain E [auth A] MOL2 format, chain F [auth A] MOL2 format, chain G [auth A] MOL2 format, chain I [auth C] MOL2 format, chain J [auth B] MOL2 format, chain L [auth B] MOL2 format, chain M [auth B] MOL2 format, chain O [auth D] MOL2 format, chain P [auth D]	E [auth A] F [auth A] G [auth A] I [auth C] J [auth B] E [auth A], F [auth A], G [auth A], I [auth C], J [auth B], L [auth B], M [auth B], O [auth D], P [auth D]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain I [auth C] Focus chain J [auth B] Focus chain L [auth B] Focus chain M [auth B] Focus chain O [auth D] Focus chain P [auth D] Interactions & Density Focus chain E [auth A] Focus chain F [auth A] Focus chain G [auth A] Focus chain I [auth C] Focus chain J [auth B] Focus chain L [auth B] Focus chain M [auth B] Focus chain O [auth D] Focus chain P [auth D]
MIE (Subject of Investigation/LOI) Query on MIE Download Ideal Coordinates CCD File SDF format, chain K [auth B] SDF format, chain N [auth D] MOL2 format, chain K [auth B] MOL2 format, chain N [auth D]	K [auth B], N [auth D]	methylglyoxal C₃ H₄ O₂ AIJULSRZWUXGPQ-UHFFFAOYSA-N		Interactions Focus chain K [auth B] Focus chain N [auth D] Interactions & Density Focus chain K [auth B] Focus chain N [auth D]