Protein profile
HT085_RS00230
acetyl-CoA carboxylase biotin carboxyl carrier protein
Genome: NZ_AP023069.1
Overview
Basic information about this protein and its source genome.
- Accession
- HT085_RS00230
- Gene
- TUM19854C_00370 ESCNG_30006 accB
- Status
- annotated
- Amino acids
- 139
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- Localization
- Unknown
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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
3- GO:0003989 Catalysis of the reaction: ATP + acetyl-CoA + HCO3- = ADP + phosphate + malonyl-CoA.
- GO:0009317 A protein complex that catalyzes the first step in long-chain fatty acid biosynthesis. For example, in E. coli the complex is heterohexameric and composed of biotin carbonyl carrier protein, biotin carboxylase and the acetate CoA-transferase complex.
- 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.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 67 | 138 | Pfam | PF00364 | Biotin-requiring enzyme |
| 67 | 138 | InterPro | IPR000089 | Biotin/lipoyl attachment |
| 21 | 138 | PANTHER | PTHR45266 | OXALOACETATE DECARBOXYLASE ALPHA CHAIN |
| 95 | 112 | ProSitePatterns | PS00188 | Biotin-requiring enzymes attachment site. |
| 95 | 112 | InterPro | IPR001882 | Biotin-binding site |
| 67 | 138 | CDD | cd06850 | biotinyl_domain |
| 1 | 138 | NCBIfam | TIGR00531 | acetyl-CoA carboxylase biotin carboxyl carrier protein |
| 1 | 138 | InterPro | IPR001249 | Acetyl-CoA biotin carboxyl carrier |
| 58 | 139 | FunFam | G3DSA:2.40.50.100:FF:000003 | Acetyl-CoA carboxylase biotin carboxyl carrier protein |
| 67 | 138 | SUPERFAMILY | SSF51230 | Single hybrid motif |
| 67 | 138 | InterPro | IPR011053 | Single hybrid motif |
| 63 | 138 | Gene3D | G3DSA:2.40.50.100 | - |
| 100 | 113 | PRINTS | PR01071 | Acetyl-CoA biotin carboxyl carrier protein signature |
| 100 | 113 | InterPro | IPR001249 | Acetyl-CoA biotin carboxyl carrier |
| 68 | 81 | PRINTS | PR01071 | Acetyl-CoA biotin carboxyl carrier protein signature |
| 68 | 81 | InterPro | IPR001249 | Acetyl-CoA biotin carboxyl carrier |
| 85 | 99 | PRINTS | PR01071 | Acetyl-CoA biotin carboxyl carrier protein signature |
| 85 | 99 | InterPro | IPR001249 | Acetyl-CoA biotin carboxyl carrier |
| 57 | 139 | ProSiteProfiles | PS50968 | Biotinyl/lipoyl domain profile. |
| 57 | 139 | InterPro | IPR000089 | Biotin/lipoyl attachment |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
Loading 3D structure...
Structural evidence
0 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
HT085_RS00230
|
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 | 0.465 |
Ligand evidence
Ligands grouped by evidence source — prioritize those reported for this exact protein.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein in the Protein Data Bank.
No PDB structure with a co-crystallized ligand found for this exact protein.
Structural evidence inferred from similar proteins. The UniProt column identifies the protein that carried the ligand in PDB.
| Ligand | PDB structure | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| BTI | 5ks8 | Q1H157 | 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
|
| PYR | 5ks8 | Q1H157 | 88.1 Da LogP -0.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CC(=O)C(=O)O
|
| TAR | 4iss | Q6CP22 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
|
Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL bioactivity data found for this exact protein.
Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL hits found through similar proteins.
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC34603442 | 0.703 | 215.3 Da LogP 0.28 TPSA 67.1 | ✓ Ro5 | ✓ Clean |
NCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
|
| ZINC12359024 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
|
| ZINC13533920 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC1532740 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O
|
| ZINC1549593 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC2013424 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O
|
| ZINC3581021 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC3860635 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC5783661 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
|
| ZINC6072527 | 0.692 | 210.1 Da LogP -3.40 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O
|
| ZINC34182012 | 0.667 | 230.3 Da LogP 0.70 TPSA 61.4 | ✓ Ro5 | ✓ Clean |
O=C1N[C@@H]2[C@H](CCCCCO)SC[C@@H]2N1
|
| ZINC1532548 | 0.634 | 244.3 Da LogP 0.80 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21
|
| ZINC2169825 | 0.634 | 244.3 Da LogP 0.80 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21
|
| ZINC2169827 | 0.634 | 244.3 Da LogP 0.80 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]21
|
| ZINC3869709 | 0.634 | 243.3 Da LogP 0.20 TPSA 84.2 | ✓ Ro5 | ✓ Clean |
NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21
|
| ZINC3869710 | 0.634 | 243.3 Da LogP 0.20 TPSA 84.2 | ✓ Ro5 | ✓ Clean |
NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
|
| ZINC3869711 | 0.634 | 243.3 Da LogP 0.20 TPSA 84.2 | ✓ Ro5 | ✓ Clean |
NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21
|
| ZINC3869712 | 0.634 | 243.3 Da LogP 0.20 TPSA 84.2 | ✓ Ro5 | ✓ Clean |
NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12
|
| ZINC22052067 | 0.609 | 301.4 Da LogP -0.09 TPSA 107.5 | ✓ Ro5 | ✓ Clean |
O=C(O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
|
| ZINC59286406 | 0.609 | 300.4 Da LogP -0.69 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
NC(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
|
| ZINC222024244 | 0.600 | 283.4 Da LogP 0.99 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NC1CC1
|
| ZINC48391181 | 0.600 | 283.4 Da LogP 0.99 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC1CC1
|
| ZINC53464107 | 0.600 | 283.4 Da LogP 0.99 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NC1CC1
|
| ZINC53464111 | 0.600 | 283.4 Da LogP 0.99 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NC1CC1
|
| ZINC1560405156 | 0.588 | 208.1 Da LogP -1.79 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)/C(O)=C(\O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC1560405157 | 0.588 | 208.1 Da LogP -1.79 TPSA 155.5 | 1 viol. | ✓ Clean |
O=C(O)/C(O)=C(/O)[C@H](O)[C@H](O)C(=O)O
|
| ZINC2121285 | 0.578 | 258.3 Da LogP 0.89 TPSA 67.4 | ✓ Ro5 | ✓ Clean |
COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21
|
| ZINC4038545 | 0.578 | 258.3 Da LogP 0.89 TPSA 67.4 | ✓ Ro5 | ✓ Clean |
COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21
|
| ZINC5005298 | 0.578 | 258.3 Da LogP 0.89 TPSA 67.4 | ✓ Ro5 | ✓ Clean |
COC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21
|
| ZINC5224322 | 0.578 | 258.3 Da LogP 0.89 TPSA 67.4 | ✓ Ro5 | ✓ Clean |
COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
|
| ZINC90514224 | 0.578 | 258.3 Da LogP 0.89 TPSA 67.4 | ✓ Ro5 | ✓ Clean |
COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12
|
| ZINC27065097 | 0.574 | 311.5 Da LogP 1.77 TPSA 70.2 | ✓ Ro5 | ✓ Clean |
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC1CCCC1
|
| ZINC5157321 | 0.574 | 287.4 Da LogP -0.18 TPSA 90.5 | ✓ Ro5 | ✓ Clean |
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCO
|
| ZINC206908803 | 0.571 | 315.4 Da LogP 0.00 TPSA 96.5 | ✓ Ro5 | ✓ Clean |
COC(=O)CNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21
|
| ZINC334161970 | 0.571 | 315.4 Da LogP 0.00 TPSA 96.5 | ✓ Ro5 | ✓ Clean |
COC(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]…
|
| ZINC62001297 | 0.571 | 315.4 Da LogP 0.00 TPSA 96.5 | ✓ Ro5 | ✓ Clean |
COC(=O)CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
|
| ZINC75611263 | 0.571 | 315.4 Da LogP 0.00 TPSA 96.5 | ✓ Ro5 | ✓ Clean |
COC(=O)CNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21
|
| ZINC104112886 | 0.568 | 242.3 Da LogP 0.57 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C\CC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21
|
| ZINC13543600 | 0.568 | 242.3 Da LogP 0.57 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C\CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
|
| ZINC4216800 | 0.568 | 242.3 Da LogP 0.57 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C/CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
|
| ZINC5082085 | 0.568 | 242.3 Da LogP 0.57 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C/CC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21
|
| ZINC5082088 | 0.568 | 242.3 Da LogP 0.57 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C/CC[C@@H]1SC[C@H]2NC(=O)N[C@H]21
|
| ZINC5082090 | 0.568 | 242.3 Da LogP 0.57 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(O)/C=C/CC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12
|
| ZINC77273222 | 0.568 | 428.6 Da LogP 1.36 TPSA 119.6 | ✓ Ro5 | ✓ Clean |
O=C1N[C@@H]2[C@H](CCCC(CCC[C@@H]3SC[C@@H]4NC(=O…
|
| ZINC149421996 | 0.563 | 286.4 Da LogP -0.21 TPSA 96.2 | ✓ Ro5 | ✓ Clean |
NCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21
|
| ZINC22048411 | 0.563 | 286.4 Da LogP -0.21 TPSA 96.2 | ✓ Ro5 | ✓ Clean |
NCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21
|
| ZINC34440530 | 0.563 | 301.4 Da LogP 0.21 TPSA 90.5 | ✓ Ro5 | ✓ Clean |
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCO
|
| ZINC39935771 | 0.563 | 286.4 Da LogP -0.21 TPSA 96.2 | ✓ Ro5 | ✓ Clean |
NCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21
|
| ZINC39935772 | 0.563 | 286.4 Da LogP -0.21 TPSA 96.2 | ✓ Ro5 | ✓ Clean |
NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12
|
| ZINC95966269 | 0.563 | 284.4 Da LogP 1.44 TPSA 67.4 | ✓ Ro5 | ✓ Clean |
C=CCOC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21
|
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.