Protein profile
KP13_03795
dTDP-4-dehydrorhamnose 3,5-epimerase in cps region
Genome: KpKP13
Overview
Basic information about this protein and its source genome.
- Accession
- KP13_03795
- Gene
- AHE43667.1 rmlC
- Status
- annotated
- Amino acids
- 184
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Human identity (%)
- 0.0
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- DEG identity (%)
- 64.481
- DEG E-value
- 1.24e-82
- Localization
- Unknown
- ColabFold pLDDT
- 97.83
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)
4- GO:0008830 Catalysis of the reaction: dTDP-4-dehydro-6-deoxy-alpha-D-glucose = dTDP-4-dehydro-6-deoxy-L-mannose.
- GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
- GO:0019305 The chemical reactions and pathways resulting in the formation of dTDP-rhamnose, a substance composed of rhamnose in glycosidic linkage with deoxyribosylthymine diphosphate.
- GO:0000271 The chemical reactions and pathways resulting in the formation of a polysaccharide, a polymer of many (typically more than 10) monosaccharide residues linked glycosidically.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 5 | 178 | Pfam | PF00908 | dTDP-4-dehydrorhamnose 3,5-epimerase |
| 5 | 178 | InterPro | IPR000888 | dTDP-4-dehydrorhamnose 3,5-epimerase-related |
| 2 | 180 | NCBIfam | TIGR01221 | dTDP-4-dehydrorhamnose 3,5-epimerase |
| 2 | 180 | InterPro | IPR000888 | dTDP-4-dehydrorhamnose 3,5-epimerase-related |
| 2 | 178 | PANTHER | PTHR21047 | DTDP-6-DEOXY-D-GLUCOSE-3,5 EPIMERASE |
| 2 | 178 | InterPro | IPR000888 | dTDP-4-dehydrorhamnose 3,5-epimerase-related |
| 1 | 184 | Gene3D | G3DSA:2.60.120.10 | Jelly Rolls |
| 1 | 184 | InterPro | IPR014710 | RmlC-like jelly roll fold |
| 3 | 174 | CDD | cd00438 | cupin_RmlC |
| 3 | 174 | InterPro | IPR000888 | dTDP-4-dehydrorhamnose 3,5-epimerase-related |
| 1 | 181 | SUPERFAMILY | SSF51182 | RmlC-like cupins |
| 1 | 181 | InterPro | IPR011051 | RmlC-like cupin domain superfamily |
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_A0A0H3GSI9
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_03795
|
ColabFold | — | — | full sequence | — | Loaded |
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer
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 | 9.65 | 0.519 | ||||||
| 2 | 0.8 | 0.003 |
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 |
|---|---|---|---|---|---|---|---|
| 6 | 0.291 | ||||||
| 2 | 0.29 |
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 | 12.26 | 0.644 |
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 |
|---|---|---|---|---|---|---|
| ATY | P26394 | 444.2 Da LogP -0.71 TPSA 203.7 | ✓ Ro5 | ✓ Clean |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@…
|
|
| SRT | Q9HU21 | 150.1 Da LogP -2.12 TPSA 115.1 | ✓ Ro5 | ✓ Clean |
[C@H]([C@H](C(=O)O)O)(C(=O)O)O
|
|
| TDO | Q5ZXH5 | 546.3 Da LogP -2.22 TPSA 253.4 | 3 viol. | ✓ Clean |
C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)O…
|
|
| TPE | P26394 | 520.3 Da LogP 1.38 TPSA 192.7 | 2 viol. | ✓ Clean |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@…
|
|
| TYD | O27818 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@]…
|
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 |
|---|---|---|---|---|---|---|
| CHEMBL592712 | P9WH10 | 7.21 | 416.5 Da LogP 3.99 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
C=CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc…
|
| CHEMBL589101 | P9WH10 | 7.00 | 404.5 Da LogP 3.82 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21
|
| CHEMBL590576 | P9WH10 | 6.40 | 448.5 Da LogP 2.67 TPSA 115.5 | ✓ Ro5 | ✓ Clean |
C=CCn1c2ccccc2c2nnc(S(=O)(=O)CCCn3c(=O)[nH]c4cc…
|
| CHEMBL592545 | P9WH10 | 6.30 | 390.5 Da LogP 3.34 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
Cn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21
|
| CHEMBL600648 | P9WH10 | 6.10 | 436.5 Da LogP 2.51 TPSA 115.5 | ✓ Ro5 | ✓ Clean |
CCn1c2ccccc2c2nnc(S(=O)(=O)CCCn3c(=O)[nH]c4cccc…
|
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 |
|---|---|---|---|---|---|
| ZINC18094029 | 1.000 | 404.5 Da LogP 3.82 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21
|
| ZINC18322375 | 1.000 | 416.5 Da LogP 3.99 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
C=CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc…
|
| ZINC33979243 | 1.000 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC2751170 | 0.875 | 418.5 Da LogP 4.21 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
CCCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21
|
| ZINC2745826 | 0.821 | 390.5 Da LogP 3.34 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
Cn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21
|
| ZINC2995449 | 0.810 | 466.6 Da LogP 4.85 TPSA 81.4 | ✓ Ro5 | ✓ Clean |
O=c1[nH]c2ccccc2n1CCCSc1nnc2c3ccccc3n(Cc3ccccc3…
|
| ZINC13507072 | 0.719 | 482.2 Da LogP -1.16 TPSA 244.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)O[P@…
|
| ZINC33979251 | 0.719 | 482.2 Da LogP -1.16 TPSA 244.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC12503053 | 0.714 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC33979244 | 0.714 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)…
|
| ZINC33979245 | 0.714 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=…
|
| ZINC33979246 | 0.714 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC8215882 | 0.714 | 402.2 Da LogP -1.28 TPSA 197.6 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC6455268 | 0.695 | 376.4 Da LogP 3.33 TPSA 92.2 | ✓ Ro5 | ✓ Clean |
O=c1[nH]c2ccccc2n1CCCSc1nnc2c(n1)[nH]c1ccccc12
|
| 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
|
| ZINC2869073 | 0.673 | 286.4 Da LogP 3.89 TPSA 43.6 | ✓ Ro5 | ✓ Clean |
CCCCSc1nnc2c3ccccc3n(CC)c2n1
|
| ZINC13523519 | 0.651 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)c(…
|
| ZINC1532628 | 0.651 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=…
|
| ZINC1678872 | 0.651 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC2047010 | 0.651 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC3870253 | 0.651 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O…
|
| ZINC3870254 | 0.651 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)…
|
| ZINC6523446 | 0.651 | 322.2 Da LogP -1.40 TPSA 151.1 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=…
|
| ZINC12763633 | 0.646 | 392.5 Da LogP 3.41 TPSA 72.7 | ✓ Ro5 | ✓ Clean |
C=CCn1c(SCCCn2c(=O)[nH]c3ccccc32)nc2ccccc2c1=O
|
| ZINC2779918 | 0.636 | 272.4 Da LogP 3.50 TPSA 43.6 | ✓ Ro5 | ✓ Clean |
CCCSc1nnc2c3ccccc3n(CC)c2n1
|
| ZINC2774660 | 0.633 | 284.4 Da LogP 3.67 TPSA 43.6 | ✓ Ro5 | ✓ Clean |
C=CCn1c2ccccc2c2nnc(SCCC)nc21
|
| ZINC2446819 | 0.632 | 334.4 Da LogP 4.33 TPSA 43.6 | ✓ Ro5 | ✓ Clean |
CCn1c2ccccc2c2nnc(SCCc3ccccc3)nc21
|
| ZINC5490587 | 0.627 | 297.4 Da LogP 3.40 TPSA 67.4 | ✓ Ro5 | ✓ Clean |
CCn1c2ccccc2c2nnc(SCCCC#N)nc21
|
| ZINC6702687 | 0.619 | 314.4 Da LogP 2.73 TPSA 80.9 | ✓ Ro5 | ✓ Clean |
C=CCn1c2ccccc2c2nnc(SCCC(=O)O)nc21
|
| ZINC111459735 | 0.614 | 481.2 Da LogP -1.20 TPSA 249.9 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](N)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC138164075 | 0.614 | 498.2 Da LogP 0.21 TPSA 227.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC6979742 | 0.614 | 274.3 Da LogP 2.08 TPSA 63.8 | ✓ Ro5 | ✓ Clean |
CCn1c2ccccc2c2nnc(SCCO)nc21
|
| ZINC2188705 | 0.610 | 282.4 Da LogP 3.44 TPSA 43.6 | ✓ Ro5 | ✓ Clean |
C=CCSc1nnc2c3ccccc3n(CC=C)c2n1
|
| ZINC176086 | 0.607 | 332.4 Da LogP 4.46 TPSA 43.6 | ✓ Ro5 | ✓ Clean |
C=CCn1c2ccccc2c2nnc(SCc3ccccc3)nc21
|
| ZINC17107637 | 0.606 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(N)(N)=O)O2)c(…
|
| ZINC17107641 | 0.606 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(N)(N)=O)O2)c(=…
|
| ZINC5493427 | 0.606 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](COP(N)(N)=O)O2)c(=O…
|
| ZINC5493430 | 0.606 | 320.2 Da LogP -1.46 TPSA 162.7 | ✓ Ro5 | ✓ Clean |
Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(N)(N)=O)O2)c(=…
|
| ZINC142512519 | 0.600 | 498.2 Da LogP 0.21 TPSA 227.1 | 2 viol. | ✓ Clean |
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)O[P@@…
|
| ZINC176091 | 0.600 | 258.4 Da LogP 3.11 TPSA 43.6 | ✓ Ro5 | ✓ Clean |
CCSc1nnc2c3ccccc3n(CC)c2n1
|
| ZINC446033 | 0.600 | 270.4 Da LogP 3.28 TPSA 43.6 | ✓ Ro5 | ✓ Clean |
C=CCn1c2ccccc2c2nnc(SCC)nc21
|
| ZINC856931 | 0.600 | 353.5 Da LogP 3.74 TPSA 46.8 | ✓ Ro5 | ✓ Clean |
C=CCn1c2ccccc2c2nnc(SCCN3CCCCC3)nc21
|
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.