Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry H11
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 7 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], O [auth B], Y [auth C] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N | |||
REG (Subject of Investigation/LOI) Query on REG | H [auth A], IA [auth D] | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea C11 H20 N2 O2 GZCFMEFTVSKHDE-JTQLQIEISA-N | |||
ADE Query on ADE | F [auth A], GA [auth D], P [auth B], Z [auth C] | ADENINE C5 H5 N5 GFFGJBXGBJISGV-UHFFFAOYSA-N | |||
PO4 Query on PO4 | BA [auth C] CA [auth C] DA [auth C] EA [auth C] J [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K | |||
GOL Query on GOL | HA [auth D] JA [auth D] N [auth B] Q [auth B] R [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
DMS Query on DMS | G [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N | |||
K Query on K | AA [auth C], I [auth A], KA [auth D], T [auth B] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 73.91 | α = 90 |
b = 133.04 | β = 101.21 |
c = 98.93 | 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 |