Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: KP13_01763
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: fosA AHE46535.1
Status: annotated
Amino acids: 139
Structure source: Experimental + 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: Cytoplasmic
ColabFold pLDDT: 97.29

Selected Druggability evidence

PDB experimental structure

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.

FPocket 0.53

Structure 5V3D

Pocket Pocket 1

P2Rank 0.335

Structure 6C3U

Pocket Pocket 1

ColabFold model

FPocket 0.502 · Pocket 1

P2Rank 0.199 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 56 / 4744 genomes with a hit

Normalized 0.012

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

No GO or EC annotations are currently loaded for this protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records

Show feature table

Start	End	DB	Term	Name
4	114	Pfam	PF00903	Glyoxalase/Bleomycin resistance protein/Dioxygenase superfamily
4	114	InterPro	IPR004360	Glyoxalase/fosfomycin resistance/dioxygenase domain
1	135	SUPERFAMILY	SSF54593	Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase
1	135	InterPro	IPR029068	Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase
4	128	CDD	cd07244	FosA
2	115	PANTHER	PTHR21366	GLYOXALASE FAMILY PROTEIN
4	117	ProSiteProfiles	PS51819	Vicinal oxygen chelate (VOC) domain profile.
4	117	InterPro	IPR037523	Vicinal oxygen chelate (VOC) domain
1	139	Gene3D	G3DSA:3.10.180.10	-
1	139	InterPro	IPR029068	Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase

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...

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Structural evidence

2 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
PDB 5V3D	X-ray	20.00 Å	-	—	PDBe RCSB PDBj File	Viewing
PDB 6C3U	X-ray	20.00 Å	-	—	PDBe RCSB PDBj File	Loaded
ColabFold KP13_01763	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				0.07
3				0.031
8				0.003
4				0.001

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				0.502

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				2.55	0.072
2				2.05	0.045

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.

26 records

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
1KM	4JH7	Q739M9	259.2 Da LogP -0.98 TPSA 141.1	✓ Ro5	✓ Clean	`C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O`
A81	5WEW	W8UNW6	537.1 Da LogP 1.85 TPSA 172.1	1 viol.	✓ Clean	`C1=C(C=NC2=C(C(=O)NN21)Br)c3c(c(n[nH]3)C4=CN5C(…`
FCN	5V3D Open crystal	W8UNW6	138.1 Da LogP -0.09 TPSA 70.1	✓ Ro5	✓ Clean	`C[C@H]1[C@H](O1)P(=O)(O)O`
NY2	6C3U Open crystal	A0A0H3GM04	325.1 Da LogP 1.08 TPSA 122.0	✓ Ro5	✓ Clean	`c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O…`
PPF	1NKI	Q9I4K6	126.0 Da LogP -0.16 TPSA 94.8	✓ Ro5	✓ Clean	`C(=O)(O)P(=O)(O)O`
TL	1LQO	Q9I4K6	204.4 Da LogP -0.38 TPSA 0.0	✓ Ro5	✓ Clean	`[Tl+]`

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
ZINC4343613	1.000	325.1 Da LogP 1.08 TPSA 122.0	✓ Ro5	✓ Clean	`O=c1[nH]n2cc(-c3n[nH]cc3[N+](=O)[O-])cnc2c1Br`
ZINC5131766	0.538	224.3 Da LogP -1.26 TPSA 92.4	✓ Ro5	✓ Clean	`N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O`
ZINC1730666	0.524	208.2 Da LogP -1.46 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O`
ZINC1730667	0.524	208.2 Da LogP -1.46 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CSC[C@H](N)C(=O)O)C(=O)O`
ZINC1730669	0.524	208.2 Da LogP -1.46 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CSC[C@@H](N)C(=O)O)C(=O)O`
ZINC3055005	0.524	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O`
ZINC3055007	0.524	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC3055010	0.524	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC33355141	0.519	335.2 Da LogP 0.12 TPSA 193.7	1 viol.	✓ Clean	`O=[N+]([O-])c1c(-c2cnn([N+](=O)[O-])c2)n[nH]c1-…`
ZINC4343609	0.508	435.3 Da LogP 1.13 TPSA 206.8	1 viol.	✓ Clean	`O=C(O)c1cc2ncc(-c3n[nH]c(-c4cnc5cc(C(=O)O)nn5c4…`
ZINC1555366	0.500	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O`
ZINC1555367	0.500	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1555369	0.500	232.3 Da LogP 0.15 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1720127	0.500	218.3 Da LogP -0.24 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O`
ZINC1720128	0.500	218.3 Da LogP -0.24 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1720130	0.500	218.3 Da LogP -0.24 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC3623257	0.500	202.2 Da LogP -0.85 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](C/C=C/C[C@@H](N)C(=O)O)C(=O)O`
ZINC40439568	0.500	208.2 Da LogP -2.19 TPSA 112.7	✓ Ro5	✓ Clean	`N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O`
ZINC4580672	0.500	202.2 Da LogP -0.85 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](C/C=C/C[C@H](N)C(=O)O)C(=O)O`
ZINC4580676	0.500	202.2 Da LogP -0.85 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](C/C=C/C[C@@H](N)C(=O)O)C(=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.

KP13_01763

Overview

Target profile

Selected Druggability evidence

Sequence

Functional Annotations

Sequence Features

3D Structure

Structural evidence

Pockets (FPOCKET)

Pockets (FPOCKET)

Pockets (P2RANK)

Ligand evidence