Protein profile

PA5436

acetyl-CoA carboxylase subunit alpha

Genome: NC_002516.2

Gene: PA5436 Structure source: AlphaFold UniProt Q9HTD0
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Amino acids 471
Annotations 7
Features 26
PDB binders 30
Druggability 0.396

Overview

Basic information about this protein and its source genome.

Accession
PA5436
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA5436
Status
annotated
Amino acids
471
Structure source
AlphaFold
GO
GO:0003989 Catalysis of the reaction: ATP + acetyl-CoA + HCO3- = ADP + phosphate + malonyl-CoA. GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0004075 Catalysis of the reaction: ATP + biotin-carboxyl-carrier protein + CO2 = ADP + phosphate + carboxybiotin-carboxyl-carrier protein. GO:0046872 Binding to a metal ion. GO:0006633 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes. GO:2001295 The chemical reactions and pathways resulting in the formation of malonyl-CoA, the S-malonyl derivative of coenzyme A.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
68.75
Human E-value
2.44e-09
Gut microbiome off-target
hit
Essential (DEG)
Y
Localization
Cytoplasmic

Selected Druggability evidence

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.396
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Gene Ontology (GO)

7
  • GO:0003989 Catalysis of the reaction: ATP + acetyl-CoA + HCO3- = ADP + phosphate + malonyl-CoA.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
  • GO:0004075 Catalysis of the reaction: ATP + biotin-carboxyl-carrier protein + CO2 = ADP + phosphate + carboxybiotin-carboxyl-carrier protein.
  • GO:0046872 Binding to a metal ion.
  • GO:0006633 The chemical reactions and pathways resulting in the formation of a fatty acid, any of the aliphatic monocarboxylic acids that can be liberated by hydrolysis from naturally occurring fats and oils. Fatty acids are predominantly straight-chain acids of 4 to 24 carbon atoms, which may be saturated or unsaturated; branched fatty acids and hydroxy fatty acids also occur, and very long chain acids of over 30 carbons are found in waxes.
  • GO:2001295 The chemical reactions and pathways resulting in the formation of malonyl-CoA, the S-malonyl derivative of coenzyme A.
  • GO:0016874 Catalysis of the joining of two molecules, or two groups within a single molecule, using the energy from the hydrolysis of ATP, a similar triphosphate, or a pH gradient.

Sequence Features

Domain/signature hits from InterPro and related databases.

26 records
Show feature table
Start End DB Term Name
329 445 SUPERFAMILY SSF51246 Rudiment single hybrid motif
329 445 InterPro IPR011054 Rudiment single hybrid motif
1 130 FunFam G3DSA:3.40.50.20:FF:000010 Propionyl-CoA carboxylase subunit alpha
284 291 ProSitePatterns PS00867 Carbamoyl-phosphate synthase subdomain signature 2.
284 291 InterPro IPR005479 Carbamoyl-phosphate synthetase large subunit-like, ATP-binding domain
131 201 FunFam G3DSA:3.30.1490.20:FF:000003 acetyl-CoA carboxylase isoform X1
1 109 Pfam PF00289 Biotin carboxylase, N-terminal domain
1 109 InterPro IPR005481 Biotin carboxylase-like, N-terminal domain
1 112 SUPERFAMILY SSF52440 PreATP-grasp domain
1 112 InterPro IPR016185 Pre-ATP-grasp domain superfamily
119 315 ProSiteProfiles PS50975 ATP-grasp fold profile.
119 315 InterPro IPR011761 ATP-grasp fold
82 346 SUPERFAMILY SSF56059 Glutathione synthetase ATP-binding domain-like
334 440 SMART SM00878 Biotin_carb_C_2
334 440 InterPro IPR005482 Biotin carboxylase, C-terminal
334 440 Pfam PF02785 Biotin carboxylase C-terminal domain
1 444 ProSiteProfiles PS50979 Biotin carboxylation domain profile.
1 444 InterPro IPR011764 Biotin carboxylation domain
2 450 PANTHER PTHR48095 PYRUVATE CARBOXYLASE SUBUNIT A
152 166 ProSitePatterns PS00866 Carbamoyl-phosphate synthase subdomain signature 1.
152 166 InterPro IPR005479 Carbamoyl-phosphate synthetase large subunit-like, ATP-binding domain
114 320 Pfam PF02786 Carbamoyl-phosphate synthase L chain, ATP binding domain
114 320 InterPro IPR005479 Carbamoyl-phosphate synthetase large subunit-like, ATP-binding domain
1 443 NCBIfam TIGR00514 acetyl-CoA carboxylase biotin carboxylase subunit
1 443 InterPro IPR004549 Acetyl-CoA carboxylase, biotin carboxylase
1 448 Gene3D G3DSA:3.30.470.20 -

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

0 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold PA5436
AlphaFold — — full sequence — Viewing
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET Sticks Spheres Surfaces Druggability Labels Zoom Positions
1 0.396
2 0.291

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

95 records

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
3PY
4MFE
Q2K340 104.1 Da LogP -1.37 TPSA 74.6 ✓ Ro5 ✓ Clean C(C(=O)C(=O)O)O
ACP
4MV8
P43873 505.2 Da LogP -1.52 TPSA 269.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
AGS
2QF7
Q2K340 523.2 Da LogP -1.51 TPSA 262.1 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
ANP
3OUU
Q0P8W7 506.2 Da LogP -2.06 TPSA 281.9 3 viol. ✓ Clean c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
BPV
4MIM
Q2K340 167.0 Da LogP 0.03 TPSA 54.4 ✓ Ro5 ✓ Clean C(C(=O)C(=O)O)Br
BTI
3TW6
Q2K340 228.3 Da LogP 0.91 TPSA 58.2 ✓ Ro5 ✓ Clean C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2
BYT
4M6V
Q2K340 372.5 Da LogP 0.41 TPSA 133.6 ✓ Ro5 ✓ Clean C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C…
CAC
3OUU
Q0P8W7 137.0 Da LogP -0.52 TPSA 40.1 ✓ Ro5 ✓ Clean C[As](=O)(C)[O-]
JZK
3JZF
P24182 396.9 Da LogP 4.98 TPSA 72.9 ✓ Ro5 ✓ Clean c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl
JZL
3JZI
P24182 442.0 Da LogP 3.92 TPSA 119.2 ✓ Ro5 ✓ Clean c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]…
L21
2W6Z
P24182 203.2 Da LogP 1.33 TPSA 69.6 ✓ Ro5 ✓ Clean CC(=CCn1cnc(c-2ncnc12)N)C
L22
2W70
P24182 193.2 Da LogP 0.76 TPSA 90.7 ✓ Ro5 ✓ Clean c1cnc(nc1c2csc(n2)N)N
L23
2W71
P24182 334.2 Da LogP 3.59 TPSA 69.6 ✓ Ro5 ✓ Clean Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N
MLT
3OUZ
Q0P8W7 134.1 Da LogP -1.09 TPSA 94.8 ✓ Ro5 ✓ Clean C([C@H](C(=O)O)O)C(=O)O
MQM
6OI9
P24182 389.3 Da LogP 3.37 TPSA 94.0 ✓ Ro5 ✓ Clean c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N…
MQV
6OI8
P43873 429.9 Da LogP 3.38 TPSA 106.8 ✓ Ro5 ✓ Clean c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4C[C@@H]5[C@H](C…
MV4
6OJH
P43873 356.4 Da LogP 2.96 TPSA 94.0 ✓ Ro5 ✓ Clean c1ccc2c(c1)cccc2c3cc4cnc(nc4nc3N5CC[C@H](C5)N)N
OA1
2W6M
P24182 267.1 Da LogP 2.25 TPSA 69.1 ✓ Ro5 ✓ Clean c1cc(cc(c1)Br)C(=O)c2cnc(o2)N
OA2
2W6N
P24182 307.4 Da LogP 3.10 TPSA 72.4 ✓ Ro5 ✓ Clean c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N
OA3
2W6O
P24182 191.2 Da LogP 1.21 TPSA 68.9 ✓ Ro5 ✓ Clean CC1(Cc2c(c(ncn2)N)C(=O)C1)C
OA4
2W6P
P24182 250.3 Da LogP 2.77 TPSA 77.8 ✓ Ro5 ✓ Clean Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3
OA5
2W6Q
P24182 247.3 Da LogP 0.49 TPSA 109.2 ✓ Ro5 ✓ Clean c1ccc(cc1)OCCOc2nc(nc(n2)N)N
OXL
4MFD
Q2K340 88.0 Da LogP -3.51 TPSA 80.3 ✓ Ro5 ✓ Clean C(=O)(C(=O)[O-])[O-]
PAE
3TW6
Q2K340 140.0 Da LogP -0.75 TPSA 94.8 ✓ Ro5 ✓ Clean C(C(=O)O)P(=O)(O)O
PCT
4MV6
P43873 139.0 Da LogP -1.35 TPSA 100.6 ✓ Ro5 ✓ Clean C(C(=O)N)P(=O)(O)O
PPF
4MV7
P43873 126.0 Da LogP -0.16 TPSA 94.8 ✓ Ro5 ✓ Clean C(=O)(O)P(=O)(O)O
PYR
4JX5
Q2K340 88.1 Da LogP -0.34 TPSA 54.4 ✓ Ro5 ✓ Clean CC(=O)C(=O)O
SRT
3OUZ
Q0P8W7 150.1 Da LogP -2.12 TPSA 115.1 ✓ Ro5 ✓ Clean [C@H]([C@H](C(=O)O)O)(C(=O)O)O
TLA
3OUZ
Q0P8W7 150.1 Da LogP -2.12 TPSA 115.1 ✓ Ro5 ✓ Clean [C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Y7Y
4RZQ
P43873 316.4 Da LogP 1.36 TPSA 84.9 ✓ Ro5 ✓ Clean COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=…

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.