Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry H05
Malecki, P.H., Gawel, M., Stepniewska, M., Brzezinski, K.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Adenosylhomocysteinase | 472 | Pseudomonas aeruginosa PAO1 | Mutation(s): 0  Gene Names: ahcY, sahH, PA0432 EC: 3.3.1.1 (PDB Primary Data), 3.13.2.1 (UniProt) | ||
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 AnnotationsExpand | |||||
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Ligands 6 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAD Query on NAD | E [auth A], FA [auth D], N [auth B], X [auth C] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N | |||
RE4 (Subject of Investigation/LOI) Query on RE4 | G [auth A], R [auth B] | 6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine C11 H13 N5 DSSCXCDTPABWJX-UHFFFAOYSA-N | |||
ADE Query on ADE | F [auth A], GA [auth D], O [auth B], Y [auth C] | ADENINE C5 H5 N5 GFFGJBXGBJISGV-UHFFFAOYSA-N | |||
PO4 Query on PO4 | AA [auth C] BA [auth C] CA [auth C] DA [auth C] EA [auth C] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K | |||
GOL Query on GOL | HA [auth D], M [auth B], P [auth B], Q [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
K Query on K | H [auth A], IA [auth D], S [auth B], Z [auth C] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 73.83 | α = 90 |
b = 132.77 | β = 100.94 |
c = 98.48 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
XDS | data scaling |
XDS | data reduction |
REFMAC | phasing |
Funding Organization | Location | Grant Number |
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Polish National Science Centre | Poland | SONATA BIS 2018/30/E/NZ1/00729 |