Protein profile
KP13_31923
Putative ABC transporter arginine-binding protein 2
Genome: KpKP13
Overview
Basic information about this protein and its source genome.
- Accession
- KP13_31923
- Gene
- AHE45475.1 artI
- Status
- annotated
- Amino acids
- 243
- 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 (%)
- 49.794
- DEG E-value
- 1.34e-83
- Localization
- Periplasmic
- ColabFold pLDDT
- 93.51
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)
5- GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
- GO:0071705 The directed movement of nitrogen-containing compounds into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
- 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:0015276 Enables the transmembrane transfer of an ion by a channel that opens when a specific ligand has been bound by the channel complex or one of its constituent parts.
- GO:0006865 The directed movement of amino acids, organic acids containing one or more amino substituents, 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 |
|---|---|---|---|---|
| 5 | 242 | PANTHER | PTHR35936 | MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F |
| 3 | 241 | NCBIfam | TIGR01096 | lysine/arginine/ornithine ABC transporter substrate-binding protein |
| 3 | 241 | InterPro | IPR005768 | Specific amino acids and opine-binding periplasmic protein, ABC transporter |
| 1 | 26 | SignalP_GRAM_POSITIVE | SignalP-TM | SignalP-TM |
| 20 | 243 | Phobius | NON_CYTOPLASMIC_DOMAIN | Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region. |
| 1 | 242 | SUPERFAMILY | SSF53850 | Periplasmic binding protein-like II |
| 25 | 240 | Gene3D | G3DSA:3.40.190.10 | - |
| 1 | 3 | Phobius | SIGNAL_PEPTIDE_N_REGION | N-terminal region of a signal peptide. |
| 108 | 201 | FunFam | G3DSA:3.40.190.10:FF:000014 | Arginine ABC transporter substrate-binding protein |
| 16 | 19 | Phobius | SIGNAL_PEPTIDE_C_REGION | C-terminal region of a signal peptide. |
| 1 | 19 | SignalP_EUK | SignalP-noTM | SignalP-noTM |
| 1 | 19 | Phobius | SIGNAL_PEPTIDE | Signal peptide region |
| 22 | 243 | SMART | SM00062 | AABind_6 |
| 22 | 243 | InterPro | IPR001638 | Solute-binding protein family 3/N-terminal domain of MltF |
| 22 | 243 | SMART | SM00079 | GluR_14 |
| 22 | 243 | InterPro | IPR001320 | Ionotropic glutamate receptor, C-terminal |
| 23 | 242 | Pfam | PF00497 | Bacterial extracellular solute-binding proteins, family 3 |
| 23 | 242 | InterPro | IPR001638 | Solute-binding protein family 3/N-terminal domain of MltF |
| 108 | 201 | Gene3D | G3DSA:3.40.190.10 | - |
| 4 | 15 | Phobius | SIGNAL_PEPTIDE_H_REGION | Hydrophobic region of a signal peptide. |
| 20 | 241 | CDD | cd13700 | PBP2_Arg_STM4351 |
| 45 | 58 | ProSitePatterns | PS01039 | Bacterial extracellular solute-binding proteins, family 3 signature. |
| 45 | 58 | InterPro | IPR018313 | Solute-binding protein family 3, conserved site |
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_A0A0H3GQV6
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_31923
|
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 | 2.19 | 0.052 | ||||||
| 2 | 1.04 | 0.006 |
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 | 0.91 | 0.004 |
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 |
|---|---|---|---|---|---|---|
| 2W2 | P35120 | 304.3 Da LogP -1.39 TPSA 185.8 | 1 viol. | ✓ Clean |
[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C…
|
|
| 6DB | P35120 | 246.3 Da LogP -1.23 TPSA 148.5 | 1 viol. | ✓ Clean |
[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O
|
|
| AOZ | P35120 | 227.2 Da LogP -0.53 TPSA 115.3 | ✓ Ro5 | ✓ Clean |
CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O
|
|
| AQK | P35120 | 190.2 Da LogP -1.15 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
C(C[C@@H](C(=O)O)NCC(=O)O)CN
|
|
| AQQ | P35120 | 204.2 Da LogP -0.76 TPSA 112.6 | ✓ Ro5 | ✓ Clean |
C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O
|
|
| OP1 | P35120 | 286.3 Da LogP -1.22 TPSA 156.8 | ✓ Ro5 | ✓ Clean |
[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(…
|
|
| ORN | P02911 | 132.2 Da LogP -0.86 TPSA 89.3 | ✓ Ro5 | ✓ Clean |
C(C[C@@H](C(=O)O)N)CN
|
|
| TOE | P35120 | 164.2 Da LogP -0.34 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCO
|
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 |
|---|---|---|---|---|---|
| ZINC1580161 | 1.000 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 | 1.000 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 | 1.000 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC34317654 | 1.000 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC44076059 | 1.000 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5210101 | 1.000 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC5997860 | 1.000 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC575419714 | 0.727 | 312.4 Da LogP 0.42 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCSCCOCCOCCO
|
| ZINC115163232 | 0.700 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCCO
|
| ZINC258837490 | 0.700 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCCO
|
| ZINC12501520 | 0.688 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1692489 | 0.688 | 222.3 Da LogP 0.33 TPSA 46.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOC
|
| ZINC3874716 | 0.688 | 414.5 Da LogP -0.90 TPSA 114.3 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC4283769 | 0.688 | 238.3 Da LogP -0.96 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCO
|
| ZINC4521548 | 0.688 | 282.3 Da LogP -0.95 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCO
|
| ZINC4530388 | 0.688 | 266.3 Da LogP 0.35 TPSA 55.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOC
|
| ZINC5178829 | 0.688 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5178830 | 0.688 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5701172 | 0.688 | 310.4 Da LogP 0.36 TPSA 64.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOC
|
| ZINC5997861 | 0.688 | 398.5 Da LogP 0.40 TPSA 83.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOC
|
| ZINC575432150 | 0.667 | 344.4 Da LogP -0.89 TPSA 100.5 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCS(=O)(=O)CCOCCOCCO
|
| ZINC19815880 | 0.659 | 213.2 Da LogP -0.24 TPSA 104.3 | ✓ Ro5 | ✓ Clean |
COC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC1857524240 | 0.652 | 207.3 Da LogP -0.75 TPSA 60.0 | ✓ Ro5 | ✓ Clean |
COCCNCCOCCOCCO
|
| ZINC22148708 | 0.651 | 239.3 Da LogP 0.57 TPSA 95.1 | ✓ Ro5 | ✓ Clean |
CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC22148712 | 0.651 | 239.3 Da LogP 0.57 TPSA 95.1 | ✓ Ro5 | ✓ Clean |
CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC1570743 | 0.628 | 239.3 Da LogP 0.57 TPSA 95.1 | ✓ Ro5 | ✓ Clean |
CC(C)(C)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC4899806 | 0.622 | 254.3 Da LogP -0.50 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC31393708 | 0.619 | 235.1 Da LogP -0.91 TPSA 135.5 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@H](Cc1c[nH]cn1)NP(=O)(O)O
|
| ZINC1570742 | 0.614 | 223.2 Da LogP 0.10 TPSA 95.1 | ✓ Ro5 | ✓ Clean |
C=C(C)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC5500513 | 0.614 | 223.2 Da LogP 0.10 TPSA 95.1 | ✓ Ro5 | ✓ Clean |
C=C(C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC13600073 | 0.605 | 229.3 Da LogP -0.55 TPSA 95.1 | ✓ Ro5 | ✓ Clean |
O=C(CS)N[C@@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC5650743 | 0.600 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCO
|
| ZINC6403917 | 0.600 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC196899382 | 0.588 | 228.2 Da LogP -0.14 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCNC(=O)C(F)(F)F)C(=O)O
|
| ZINC257666436 | 0.587 | 261.3 Da LogP 0.92 TPSA 103.8 | ✓ Ro5 | ✓ Clean |
Cc1cc(C)nc(N[C@@H](Cc2c[nH]cn2)C(=O)O)n1
|
| ZINC116078641 | 0.583 | 222.2 Da LogP -0.80 TPSA 74.2 | ✓ Ro5 | ✓ Clean |
COC(=O)COCCOCCOCCO
|
| ZINC1857790631 | 0.583 | 280.3 Da LogP -0.39 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
COC(=O)CCOCCOCCOCCOCCO
|
| ZINC196151418 | 0.583 | 266.3 Da LogP -0.78 TPSA 83.5 | ✓ Ro5 | ✓ Clean |
COC(=O)COCCOCCOCCOCCO
|
| ZINC202958272 | 0.583 | 236.3 Da LogP -0.41 TPSA 74.2 | ✓ Ro5 | ✓ Clean |
COC(=O)CCOCCOCCOCCO
|
| ZINC20567519 | 0.583 | 321.3 Da LogP -1.07 TPSA 135.7 | ✓ Ro5 | Alert |
CN1C(=O)C(=CN[C@@H](Cc2c[nH]cn2)C(=O)O)C(=O)N(C…
|
| ZINC20567520 | 0.583 | 321.3 Da LogP -1.07 TPSA 135.7 | ✓ Ro5 | Alert |
CN1C(=O)C(=CN[C@H](Cc2c[nH]cn2)C(=O)O)C(=O)N(C)…
|
| ZINC34111591 | 0.583 | 207.3 Da LogP -1.06 TPSA 62.2 | ✓ Ro5 | ✓ Clean |
COCCOCCN(CCO)CCO
|
| ZINC642881862 | 0.583 | 324.4 Da LogP -0.38 TPSA 92.7 | ✓ Ro5 | ✓ Clean |
COC(=O)CCOCCOCCOCCOCCOCCO
|
| ZINC1568163 | 0.578 | 259.3 Da LogP 0.84 TPSA 95.1 | ✓ Ro5 | ✓ Clean |
O=C(N[C@H](Cc1c[nH]cn1)C(=O)O)c1ccccc1
|
| ZINC15919758 | 0.578 | 245.3 Da LogP 1.20 TPSA 78.0 | ✓ Ro5 | ✓ Clean |
O=C(O)[C@H](Cc1c[nH]cn1)NCc1ccccc1
|
| ZINC8583964 | 0.578 | 226.2 Da LogP -1.13 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
NCCC(=O)N[C@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC218761131 | 0.574 | 261.3 Da LogP 0.29 TPSA 103.8 | ✓ Ro5 | ✓ Clean |
Cc1ncc(CN[C@@H](Cc2c[nH]cn2)C(=O)O)cn1
|
| ZINC218761171 | 0.574 | 261.3 Da LogP 0.29 TPSA 103.8 | ✓ Ro5 | ✓ Clean |
Cc1ncc(CN[C@H](Cc2c[nH]cn2)C(=O)O)cn1
|
| ZINC2525827 | 0.563 | 268.3 Da LogP -0.95 TPSA 124.2 | ✓ Ro5 | ✓ Clean |
CC(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
|
| ZINC218760743 | 0.560 | 304.4 Da LogP 0.81 TPSA 115.8 | ✓ Ro5 | ✓ Clean |
CC(C)Nc1ncc(CN[C@H](Cc2c[nH]cn2)C(=O)O)cn1
|
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.