8AJW | pdb_00008ajw

Crystal structure of the Q65N mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations

PDB DOI: https://doi.org/10.2210/pdb8AJW/pdb

Classification: HYDROLASE
Organism(s): Pseudomonas aeruginosa PAO1
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2022-07-28 Released: 2023-08-16
Deposition Author(s): Drozdzal, P., Wozniak, K., Malecki, P., Gawel, M., Komorowska, M., Brzezinski, K.
Funding Organization(s): Polish National Science Centre

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.82 Å
R-Value Free:
0.194 (Depositor), 0.200 (DCC)
R-Value Work:
0.160 (Depositor), 0.170 (DCC)

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.0 of the entry. See complete history.

Literature

Crystal structure of the Q65N mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations

Drozdzal, P., Wozniak, K., Malecki, P., Gawel, M., Komorowska, M., Brzezinski, K.

To be published.

Macromolecule Content

Total Structure Weight: 211.09 kDa
Atom Count: 16,154
Modelled Residue Count: 1,848
Deposited Residue Count: 1,888
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
S-adenosyl-L-homocysteine hydrolase	A [auth AAA], B [auth BBB], C [auth CCC], D [auth DDD]	472	Pseudomonas aeruginosa PAO1	Mutation(s): 1 EC: 3.13.2.1
UniProt
Find proteins for Q9I685 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)) Explore Q9I685 Go to UniProtKB: Q9I685
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9I685
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAD Query on NAD Download Ideal Coordinates CCD File SDF format, chain E [auth AAA] SDF format, chain I [auth BBB] SDF format, chain L [auth CCC] SDF format, chain O [auth DDD] MOL2 format, chain E [auth AAA] MOL2 format, chain I [auth BBB] MOL2 format, chain L [auth CCC] MOL2 format, chain O [auth DDD] mmCIF format, chain E [auth AAA] mmCIF format, chain I [auth BBB] mmCIF format, chain L [auth CCC] mmCIF format, chain O [auth DDD]	E [auth AAA], I [auth BBB], L [auth CCC], O [auth DDD]	NICOTINAMIDE-ADENINE-DINUCLEOTIDE C₂₁ H₂₇ N₇ O₁₄ P₂ BAWFJGJZGIEFAR-NNYOXOHSSA-N		Interactions Focus chain E [auth AAA] Focus chain I [auth BBB] Focus chain L [auth CCC] Focus chain O [auth DDD] Interactions & Density Focus chain E [auth AAA] Focus chain I [auth BBB] Focus chain L [auth CCC] Focus chain O [auth DDD]
ADN (Subject of Investigation/LOI) Query on ADN Download Ideal Coordinates CCD File SDF format, chain F [auth AAA] SDF format, chain J [auth BBB] SDF format, chain M [auth CCC] SDF format, chain P [auth DDD] MOL2 format, chain F [auth AAA] MOL2 format, chain J [auth BBB] MOL2 format, chain M [auth CCC] MOL2 format, chain P [auth DDD] mmCIF format, chain F [auth AAA] mmCIF format, chain J [auth BBB] mmCIF format, chain M [auth CCC] mmCIF format, chain P [auth DDD]	F [auth AAA], J [auth BBB], M [auth CCC], P [auth DDD]	ADENOSINE C₁₀ H₁₃ N₅ O₄ OIRDTQYFTABQOQ-KQYNXXCUSA-N		Interactions Focus chain F [auth AAA] Focus chain J [auth BBB] Focus chain M [auth CCC] Focus chain P [auth DDD] Interactions & Density Focus chain F [auth AAA] Focus chain J [auth BBB] Focus chain M [auth CCC] Focus chain P [auth DDD]
PEG Query on PEG Download Ideal Coordinates CCD File SDF format, chain G [auth AAA] MOL2 format, chain G [auth AAA] mmCIF format, chain G [auth AAA]	G [auth AAA]	DI(HYDROXYETHYL)ETHER C₄ H₁₀ O₃ MTHSVFCYNBDYFN-UHFFFAOYSA-N		Interactions Focus chain G [auth AAA] Interactions & Density Focus chain G [auth AAA]
PO4 (Subject of Investigation/LOI) Query on PO4 Download Ideal Coordinates CCD File SDF format, chain H [auth AAA] SDF format, chain K [auth BBB] SDF format, chain N [auth CCC] SDF format, chain Q [auth DDD] MOL2 format, chain H [auth AAA] MOL2 format, chain K [auth BBB] MOL2 format, chain N [auth CCC] MOL2 format, chain Q [auth DDD] mmCIF format, chain H [auth AAA] mmCIF format, chain K [auth BBB] mmCIF format, chain N [auth CCC] mmCIF format, chain Q [auth DDD]	H [auth AAA], K [auth BBB], N [auth CCC], Q [auth DDD]	PHOSPHATE ION O₄ P NBIIXXVUZAFLBC-UHFFFAOYSA-K		Interactions Focus chain H [auth AAA] Focus chain K [auth BBB] Focus chain N [auth CCC] Focus chain Q [auth DDD] Interactions & Density Focus chain H [auth AAA] Focus chain K [auth BBB] Focus chain N [auth CCC] Focus chain Q [auth DDD]