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Structure paper

TitlePanDDA analysis group deposition
Journal, issue, pagesChemrxiv, Year 2023
Publish dateMay 30, 2022 (structure data deposition date)
AuthorsGeorgiou, C. / Espeland, L.O. / Bukya, H. / Yadrykhinsky, V. / Haug, B.E. / Mainkar, P. / Brenk, R.
External linksChemrxiv / Search PubMed
MethodsX-ray diffraction
Resolution1.49 - 2.38 Å
Structure data

PDB-5sn5:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434897
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-5sn6:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5sn7:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z32327641
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-5sn8:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z375990520
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5sn9:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57258487
Method: X-RAY DIFFRACTION / Resolution: 1.58 Å

PDB-5sna:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

PDB-5snb:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-5snc:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z768399682
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-5snd:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1217960891
Method: X-RAY DIFFRACTION / Resolution: 1.69 Å

PDB-5sne:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z192955056
Method: X-RAY DIFFRACTION / Resolution: 1.96 Å

PDB-5snf:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z87615031
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-5sng:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z383325512
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-5snh:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198194394
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5sni:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z285782452
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-5snj:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z906021418
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-5snk:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434941
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-5snl:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2027049478
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-5snm:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z135439900
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-5snn:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-5sno:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z364368134
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

PDB-5snp:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z381729066
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-5snq:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1891773476
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-5snr:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198195770
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-5sns:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1354416068
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-5snt:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30820160
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-5snu:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-5snv:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z295848548
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-5snw:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z730649594
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-5snx:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1267881672
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-5sny:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1827602749
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-5snz:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z44567722
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-5so0:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z24758179
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-5so1:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-5so2:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31504642
Method: X-RAY DIFFRACTION / Resolution: 2.38 Å

PDB-5so3:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH100B
Method: X-RAY DIFFRACTION / Resolution: 1.49 Å

PDB-5so4:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93A
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-5so5:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-5so6:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z26968795
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-5so7:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z219104216
Method: X-RAY DIFFRACTION / Resolution: 1.57 Å

PDB-5so8:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z85895198
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5so9:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1622626423
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-5soa:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-5sob:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2204875953
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-5soc:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1530301542
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-5sod:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1730522163
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

PDB-5soe:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1429867185
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-5sof:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z373768900
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5sog:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57328997
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-5soh:
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31432226
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

Chemicals

ChemComp-Q40:
1-(2-phenylethyl)piperidine-4-carboxamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM / Dimethyl sulfoxide

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-HOH:
WATER / Water

ChemComp-EJQ:
~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide

ChemComp-JMM:
[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone

ChemComp-K0Y:
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate

ChemComp-NVD:
N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine

ChemComp-GX4:
cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

ChemComp-LWA:
(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide

ChemComp-K0D:
[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone

ChemComp-Q49:
(3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one

ChemComp-Q4L:
methyl 4-(4-fluorophenyl)piperazine-1-carboxylate

ChemComp-UQM:
N-[4-(2-amino-2-oxoethyl)phenyl]acetamide

ChemComp-UV7:
N-[(1H-pyrazol-4-yl)methyl]acetamide

ChemComp-O1M:
4-(4-fluorophenyl)piperazine-1-carboxamide

ChemComp-UVA:
N-methyl-2-(methylsulfonyl)aniline

ChemComp-K2G:
5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide

ChemComp-GOV:
(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol

ChemComp-K34:
5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole

ChemComp-Q4U:
N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide

ChemComp-NZ1:
5-methoxy-1,3-benzothiazol-2-amine

ChemComp-Q5H:
3-acetamido-2-methylbenzoic acid

ChemComp-Q5L:
N-(propan-2-yl)-1H-pyrazole-3-carboxamide

ChemComp-Q5U:
1-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine

ChemComp-LJA:
N-[3-(carbamoylamino)phenyl]acetamide

ChemComp-X1J:
1-(5-amino-2H-isoindol-2-yl)ethan-1-one

ChemComp-JFP:
N-(4-methyl-1,3-thiazol-2-yl)propanamide

ChemComp-JFJ:
1-(3-chlorophenyl)-N-methylmethanamine

ChemComp-X0G:
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine

ChemComp-NUM:
N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide

ChemComp-WN4:
N-(6-methylpyridin-2-yl)-L-prolinamide

ChemComp-K04:
(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name)

ChemComp-K0V:
methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate

ChemComp-6SU:
methyl 3-(methylsulfonylamino)benzoate

ChemComp-WJD:
2-methoxy-N-phenylacetamide

ChemComp-Q63:
ethyl (2R,3S)-2-fluoro-3-hydroxy-3-(5-methyl-1,2-oxazol-3-yl)propanoate

ChemComp-Q4K:
ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate

ChemComp-Q6C:
ethyl (2R,3S)-3-(4-chloropyridin-2-yl)-2-fluoro-3-hydroxypropanoate

ChemComp-Q6O:
N-(4-chloro-2,5-dimethoxyphenyl)acetamide

ChemComp-RZS:
6-(ethylamino)pyridine-3-carbonitrile

ChemComp-Q6X:
N-(4-fluorobenzoyl)-N-methylglycine

ChemComp-Q76:
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide

ChemComp-Q7E:
(2R)-4-(1H-pyrazol-1-yl)butan-2-ol

ChemComp-Q7L:
(3P)-3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole

ChemComp-ZQA:
4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole

ChemComp-Q7X:
1-[(2R)-8-fluoro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethan-1-one

ChemComp-VVP:
4-methoxy-1H-indole

ChemComp-NUA:
N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide

ChemComp-S2Y:
~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline

ChemComp-JGP:
(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsTRANSFERASE / SGC - Diamond I04-1 fragment screening / PanDDA / XChemExplorer / FabF / beta-ketoacyl-acyl-carrier-protein synthase II

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