Protein profile
KP13_05333
Putative iron compound ABC transport system periplasmic binding component
Genome: KpKP13
Overview
Basic information about this protein and its source genome.
- Accession
- KP13_05333
- Gene
- AHE44150.1
- Status
- annotated
- Amino acids
- 317
- 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)
- N
- DEG identity (%)
- 0.0
- Localization
- CytoplasmicMembrane
- ColabFold pLDDT
- 92.24
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.
Gene Ontology (GO)
2- GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
- GO:1901678 The directed movement of an iron coordination entity into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 4 | 12 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 1 | 3 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 13 | 17 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 8 | 258 | PANTHER | PTHR30532 | IRON III DICITRATE-BINDING PERIPLASMIC PROTEIN |
| 1 | 17 | SignalP_GRAM_NEGATIVE | SignalP-noTM | SignalP-noTM |
| 136 | 316 | Gene3D | G3DSA:3.40.50.1980 | Nitrogenase molybdenum iron protein domain |
| 17 | 297 | SUPERFAMILY | SSF53807 | Helical backbone metal receptor |
| 42 | 311 | ProSiteProfiles | PS50983 | Iron siderophore/cobalamin periplasmic-binding domain profile. |
| 42 | 311 | InterPro | IPR002491 | ABC transporter periplasmic binding domain |
| 21 | 135 | Gene3D | G3DSA:3.40.50.1980 | Nitrogenase molybdenum iron protein domain |
| 97 | 261 | Pfam | PF01497 | Periplasmic binding protein |
| 97 | 261 | InterPro | IPR002491 | ABC transporter periplasmic binding domain |
| 1 | 17 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 18 | 317 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 17 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
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_A0A0H3GUR6
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_05333
|
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 | 8.95 | 0.48 |
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 | 0.481 | ||||||
| 3 | 0.32 | ||||||
| 2 | 0.28 | ||||||
| 9 | 0.209 |
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 | 7.31 | 0.381 |
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 |
|---|---|---|---|---|---|---|
| EB4 | P0AEL6 | 669.6 Da LogP -0.74 TPSA 287.6 | 3 viol. | Alert |
c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O…
|
|
| ECA | P40409 | 573.6 Da LogP 2.71 TPSA 208.7 | 2 viol. | Alert |
c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc…
|
|
| VBN | Q9RCF6 | 705.7 Da LogP 1.84 TPSA 243.1 | 3 viol. | Alert |
C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CC…
|
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 |
|---|---|---|---|---|---|
| ZINC2383349849 | 0.647 | 259.3 Da LogP 1.73 TPSA 89.8 | ✓ Ro5 | Alert |
O=C(NCc1ccccc1)c1ccc(O)c(O)c1O
|
| ZINC3202026 | 0.606 | 227.3 Da LogP 2.32 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1ccccc1O
|
| ZINC993877 | 0.600 | 413.3 Da LogP 4.85 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cccc(CNC(=O)c2ccccc2Cl)c1)c1ccccc1Cl
|
| ZINC192979762 | 0.591 | 323.4 Da LogP 2.27 TPSA 87.4 | ✓ Ro5 | Alert |
O=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(O)c1O
|
| ZINC1164932 | 0.583 | 372.5 Da LogP 4.16 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C(=O)NCc1cccc(CNC(=O)c2ccccc2C)c1
|
| ZINC6251758 | 0.583 | 380.4 Da LogP 3.82 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cccc(CNC(=O)c2ccccc2F)c1)c1ccccc1F
|
| ZINC193135116 | 0.581 | 283.3 Da LogP 1.68 TPSA 86.9 | ✓ Ro5 | Alert |
O=C(NCc1ccn2ccnc2c1)c1cccc(O)c1O
|
| ZINC28305 | 0.563 | 344.4 Da LogP 3.55 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1ccccc1C(=O)NCc1ccccc1
|
| ZINC192933303 | 0.561 | 294.3 Da LogP 2.58 TPSA 82.5 | ✓ Ro5 | Alert |
O=C(NCc1nccc2ccccc12)c1cccc(O)c1O
|
| ZINC3937611 | 0.559 | 380.4 Da LogP 3.01 TPSA 139.1 | 1 viol. | Alert |
O=C(Nc1cccc(NC(=O)c2cccc(O)c2O)c1)c1cccc(O)c1O
|
| ZINC1772656721 | 0.558 | 233.2 Da LogP 0.60 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
C=C1C(=O)OC[C@H]1NC(=O)c1ccccc1O
|
| ZINC1689462 | 0.541 | 277.3 Da LogP 3.48 TPSA 49.3 | ✓ Ro5 | Alert |
O=C(NCc1ccccc1O)c1cccc2ccccc12
|
| ZINC20023716 | 0.541 | 228.3 Da LogP 1.72 TPSA 62.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccncc1)c1ccccc1O
|
| ZINC7345745 | 0.541 | 245.3 Da LogP 2.46 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccc(F)cc1)c1ccccc1O
|
| ZINC5557697 | 0.538 | 241.3 Da LogP 2.63 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
Cc1ccc(C(=O)NCc2ccccc2)c(O)c1
|
| ZINC25422677 | 0.537 | 257.3 Da LogP 2.33 TPSA 58.6 | ✓ Ro5 | ✓ Clean |
COc1cccc(CNC(=O)c2ccccc2O)c1
|
| ZINC49992341 | 0.535 | 334.4 Da LogP 1.37 TPSA 95.5 | ✓ Ro5 | ✓ Clean |
CNS(=O)(=O)Cc1cccc(CNC(=O)c2ccccc2O)c1
|
| ZINC69352214 | 0.535 | 323.3 Da LogP 2.62 TPSA 67.8 | ✓ Ro5 | ✓ Clean |
COc1cc(CNC(=O)c2cccc(F)c2F)cc(OC)c1O
|
| ZINC78739079 | 0.535 | 331.4 Da LogP 2.66 TPSA 77.0 | ✓ Ro5 | ✓ Clean |
COc1cc(CNC(=O)c2cccc(C)c2O)cc(OC)c1OC
|
| ZINC365757940 | 0.532 | 323.4 Da LogP 2.43 TPSA 87.4 | ✓ Ro5 | Alert |
Cn1ccnc1-c1cccc(CNC(=O)c2cccc(O)c2O)c1
|
| ZINC28394 | 0.528 | 261.3 Da LogP 3.77 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1cccc2ccccc12
|
| ZINC224745008 | 0.526 | 243.3 Da LogP 2.03 TPSA 69.6 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1cc(O)ccc1O
|
| ZINC3346496 | 0.526 | 277.3 Da LogP 3.48 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1cc2ccccc2cc1O
|
| ZINC72331769 | 0.526 | 265.2 Da LogP 3.03 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cc(F)cc(F)c1)c1ccccc1F
|
| ZINC2748404 | 0.525 | 434.4 Da LogP 3.36 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1)c1c…
|
| ZINC65553781 | 0.525 | 307.1 Da LogP 2.48 TPSA 62.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccncc1)c1cccc(Br)c1O
|
| ZINC9530774 | 0.525 | 257.3 Da LogP 2.33 TPSA 58.6 | ✓ Ro5 | ✓ Clean |
COc1cccc(C(=O)NCc2ccccc2)c1O
|
| ZINC193103082 | 0.523 | 286.3 Da LogP 2.04 TPSA 93.4 | ✓ Ro5 | Alert |
N#Cc1ccc(F)c(CNC(=O)c2cccc(O)c2O)c1
|
| ZINC2473029 | 0.514 | 255.3 Da LogP 2.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(O)c1ccccc1C(=O)NCc1ccccc1
|
| ZINC5601462 | 0.514 | 344.4 Da LogP 3.55 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cccc(CNC(=O)c2ccccc2)c1)c1ccccc1
|
| ZINC59031766 | 0.514 | 245.2 Da LogP 2.06 TPSA 89.8 | ✓ Ro5 | Alert |
O=C(Nc1ccccc1O)c1cccc(O)c1O
|
| ZINC1114209 | 0.513 | 352.4 Da LogP 3.35 TPSA 84.5 | ✓ Ro5 | ✓ Clean |
Cc1occc1C(=O)NCc1cccc(CNC(=O)c2ccoc2C)c1
|
| ZINC5679315 | 0.513 | 280.2 Da LogP 3.92 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cccc(Cl)c1)c1ccccc1Cl
|
| ZINC72331437 | 0.513 | 281.7 Da LogP 3.55 TPSA 29.1 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cc(F)cc(F)c1)c1ccccc1Cl
|
| ZINC999458 | 0.512 | 432.5 Da LogP 4.34 TPSA 76.7 | ✓ Ro5 | ✓ Clean |
CCOc1ccccc1C(=O)NCc1cccc(CNC(=O)c2ccccc2OCC)c1
|
| ZINC32914502 | 0.511 | 356.4 Da LogP 2.12 TPSA 109.5 | ✓ Ro5 | ✓ Clean |
NS(=O)(=O)c1cccc(CNC(=O)c2ccc3ccccc3c2O)c1
|
| ZINC95350477 | 0.511 | 329.4 Da LogP 3.34 TPSA 78.8 | ✓ Ro5 | ✓ Clean |
CC(C)(C)OCc1cccc(CNC(=O)c2ccc(O)cc2O)c1
|
| ZINC1114529 | 0.500 | 372.5 Da LogP 4.16 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
Cc1ccccc1C(=O)NCc1ccc(CNC(=O)c2ccccc2C)cc1
|
| ZINC12623699 | 0.500 | 295.3 Da LogP 3.34 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1O
|
| ZINC12735689 | 0.500 | 284.3 Da LogP 2.28 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
CC(=O)Nc1ccc(CNC(=O)c2ccccc2O)cc1
|
| ZINC1643009 | 0.500 | 259.3 Da LogP 1.73 TPSA 89.8 | ✓ Ro5 | Alert |
O=C(NCc1ccc(O)cc1O)c1ccccc1O
|
| ZINC1689025 | 0.500 | 261.7 Da LogP 2.98 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccccc1)c1cc(Cl)ccc1O
|
| ZINC23055261 | 0.500 | 259.3 Da LogP 2.77 TPSA 49.3 | ✓ Ro5 | ✓ Clean |
Cc1ccc(CNC(=O)c2ccccc2O)cc1F
|
| ZINC2757038 | 0.500 | 380.4 Da LogP 3.82 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccc(CNC(=O)c2ccccc2F)cc1)c1ccccc1F
|
| ZINC299515 | 0.500 | 324.3 Da LogP 2.73 TPSA 84.5 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cccc(CNC(=O)c2ccco2)c1)c1ccco1
|
| ZINC656080 | 0.500 | 380.4 Da LogP 3.82 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccc(F)cc1)c1ccccc1C(=O)NCc1ccc(F)cc1
|
| ZINC671357 | 0.500 | 380.4 Da LogP 3.82 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1cccc(CNC(=O)c2cccc(F)c2)c1)c1cccc(F)c1
|
| ZINC671471 | 0.500 | 413.3 Da LogP 4.85 TPSA 58.2 | ✓ Ro5 | ✓ Clean |
O=C(NCc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccc(Cl)cc1
|
| ZINC8987610 | 0.500 | 271.3 Da LogP 2.64 TPSA 58.6 | ✓ Ro5 | ✓ Clean |
COc1cccc(C(=O)NCc2ccc(C)cc2)c1O
|
| ZINC9322571 | 0.500 | 270.3 Da LogP 2.39 TPSA 52.6 | ✓ Ro5 | Alert |
CN(C)c1ccc(CNC(=O)c2ccccc2O)cc1
|
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.