Protein profile
KP13_02200
Isopentenyl-diphosphate Delta-isomerase
Genome: KpKP13
Overview
Basic information about this protein and its source genome.
- Accession
- KP13_02200
- Gene
- AHE42769.1 idi
- Status
- annotated
- Amino acids
- 195
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 34.568
- Human E-value
- 9.72e-10
- Gut microbiome off-target
- hit
- Essential (DEG)
- N
- DEG identity (%)
- 0.0
- Localization
- Cytoplasmic
- ColabFold pLDDT
- 94.04
Selected Druggability evidence
AlphaFold / UniProt modelSelected 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.
Enzyme Commission (EC)
1Gene Ontology (GO)
5- GO:0004452 Catalysis of the reaction: isopentenyl diphosphate = dimethylallyl diphosphate.
- GO:0008299 The chemical reactions and pathways resulting in the formation of an isoprenoid compound, isoprene (2-methylbuta-1,3-diene) or compounds containing or derived from linked isoprene (3-methyl-2-butenylene) residues.
- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0046872 Binding to a metal ion.
- GO:0050992 The chemical reactions and pathways resulting in the formation of dimethylallyl diphosphate.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 15 | 178 | CDD | cd02885 | IPP_Isomerase |
| 15 | 178 | InterPro | IPR011876 | Isopentenyl-diphosphate delta-isomerase, type 1 |
| 15 | 188 | Hamap | MF_00202 | Isopentenyl-diphosphate Delta-isomerase [idi]. |
| 15 | 188 | InterPro | IPR011876 | Isopentenyl-diphosphate delta-isomerase, type 1 |
| 7 | 192 | PIRSF | PIRSF018427 | Isopentenyldiphpt_isom |
| 7 | 192 | InterPro | IPR011876 | Isopentenyl-diphosphate delta-isomerase, type 1 |
| 42 | 172 | Pfam | PF00293 | NUDIX domain |
| 42 | 172 | InterPro | IPR000086 | NUDIX hydrolase domain |
| 17 | 175 | NCBIfam | TIGR02150 | isopentenyl-diphosphate delta-isomerase |
| 17 | 175 | InterPro | IPR011876 | Isopentenyl-diphosphate delta-isomerase, type 1 |
| 15 | 178 | SUPERFAMILY | SSF55811 | Nudix |
| 15 | 178 | InterPro | IPR015797 | NUDIX hydrolase-like domain superfamily |
| 12 | 192 | FunFam | G3DSA:3.90.79.10:FF:000009 | Isopentenyl-diphosphate Delta-isomerase |
| 13 | 194 | Gene3D | G3DSA:3.90.79.10 | Nucleoside Triphosphate Pyrophosphohydrolase |
| 41 | 175 | ProSiteProfiles | PS51462 | Nudix hydrolase domain profile. |
| 41 | 175 | InterPro | IPR000086 | NUDIX hydrolase domain |
| 15 | 179 | PANTHER | PTHR10885 | ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE |
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 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0H3GV42
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_02200
|
ColabFold | — | — | full sequence | — | Loaded |
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 | 0.704 |
Pockets (P2RANK)
Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).
| P2RANK | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 20.07 | 0.849 | ||||||
| 2 | 2.07 | 0.046 |
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 | 0.496 | ||||||
| 14 | 0.43 |
Pockets (P2RANK)
Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).
| P2RANK | Sticks | Spheres | Surfaces | Score | Probability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|---|
| 1 | 21.84 | 0.874 | ||||||
| 2 | 2.53 | 0.071 |
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.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.
No PDB structure with a co-crystallized ligand found for this exact protein.
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.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| BHI | Q46822 | 343.0 Da LogP 0.75 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O
|
|
| DED | Q46822 | 249.1 Da LogP -0.23 TPSA 116.5 | ✓ Ro5 | ✓ Clean |
CN(C)CCO[P@@](=O)(O)OP(=O)(O)O
|
|
| DMA | Q13907-2 | 246.1 Da LogP 1.18 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C
|
|
| DPO | Q46822 | 173.9 Da LogP -3.34 TPSA 135.6 | ✓ Ro5 | ✓ Clean |
[O-]P(=O)([O-])OP(=O)([O-])[O-]
|
|
| EA2 | Q13907 | 221.0 Da LogP -0.83 TPSA 139.3 | ✓ Ro5 | ✓ Clean |
C(CO[P@@](=O)(O)OP(=O)(O)O)N
|
|
| EIP | Q46822 | 264.1 Da LogP 0.23 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO
|
|
| POP | Q9BXS1 | 176.0 Da LogP -2.08 TPSA 129.9 | ✓ Ro5 | ✓ Clean |
O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
|
|
| SBH | Q46822 | 343.0 Da LogP 0.75 TPSA 133.5 | ✓ Ro5 | ✓ Clean |
C[C@](CCO[P@@](=O)(O)OP(=O)(O)O)(CBr)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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CHEMBL4795079 | Q46822 | 6.92 | 231.1 Da LogP -1.38 TPSA 159.2 | ✓ Ro5 | ✓ Clean |
NC(N)=NCP(=O)(O)CP(=O)(O)O
|
| CHEMBL5280439 | Q46822 | 6.89 | 245.1 Da LogP -1.12 TPSA 156.7 | 1 viol. | ✓ Clean |
N=C(N)NCCP(=O)(O)CP(=O)(O)O
|
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 |
|---|---|---|---|---|---|
| ZINC8215740 | 1.000 | 246.1 Da LogP 1.18 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CC(C)=CCO[P@@](=O)(O)OP(=O)(O)O
|
| ZINC71769106 | 0.923 | 326.1 Da LogP 1.30 TPSA 159.8 | ✓ Ro5 | ✓ Clean |
CC(C)=CCO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O
|
| ZINC8215849 | 0.719 | 314.2 Da LogP 2.91 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O
|
| ZINC8215654 | 0.586 | 246.1 Da LogP 1.18 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
C=C(C)CCO[P@@](=O)(O)OP(=O)(O)O
|
| ZINC2579357 | 0.552 | 248.1 Da LogP 1.26 TPSA 113.3 | ✓ Ro5 | ✓ Clean |
CC(C)CCO[P@](=O)(O)OP(=O)(O)O
|
| ZINC1532829 | 0.500 | 234.2 Da LogP 2.79 TPSA 66.8 | ✓ Ro5 | ✓ Clean |
CC(C)=CCC/C(C)=C/COP(=O)(O)O
|
| ZINC20101092 | 0.500 | 254.0 Da LogP -0.47 TPSA 152.4 | ✓ Ro5 | ✓ Clean |
O=P(O)(O)CP(=O)(O)CP(=O)(O)O
|
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.