Protein profile

VK055_0268

yceI-like domain protein

Genome: KpATCC43816

Gene: AIK78894.1 Structure source: AlphaFold + ColabFold UniProt A0A0G3N6R1

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Amino acids 192

Annotations 0

Features 17

PDB binders 8

Druggability 1

Overview

Basic information about this protein and its source genome.

Accession: VK055_0268
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK78894.1
Status: annotated
Amino acids: 192
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 (%): 35.979
Localization: Unknown
ColabFold pLDDT: 93.72

Selected Druggability evidence

AlphaFold / UniProt model

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 1

Structure A0A0G3N6R1

Pocket Pocket 1

P2Rank 0.991

Structure A0A0G3N6R1

Pocket Pocket 1

ColabFold model

FPocket 1 · Pocket 1

P2Rank 0.991 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 18 / 4744 genomes with a hit

Normalized 0.004

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.

17 records

Show feature table

Start	End	DB	Term	Name
23	192	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	24	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
24	190	SUPERFAMILY	SSF101874	YceI-like
24	190	InterPro	IPR036761	Lipid/polyisoprenoid-binding, YceI-like superfamily
1	22	Phobius	SIGNAL_PEPTIDE	Signal peptide region
25	192	Gene3D	G3DSA:2.40.128.110	-
25	192	InterPro	IPR036761	Lipid/polyisoprenoid-binding, YceI-like superfamily
1	22	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
7	17	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
8	190	PANTHER	PTHR34406	PROTEIN YCEI
1	24	SignalP_EUK	SignalP-noTM	SignalP-noTM
26	190	SMART	SM00867	YceI_2
26	190	InterPro	IPR007372	Lipid/polyisoprenoid-binding, YceI-like
18	22	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
1	6	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
27	189	Pfam	PF04264	YceI-like domain
27	189	InterPro	IPR007372	Lipid/polyisoprenoid-binding, YceI-like

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

0 + 2

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold AF_A0A0G3N6R1	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_0268	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				1.0

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				59.5	0.987

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				1.0

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				60.99	0.988

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.

58 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
8PP	1Y0G	P0A8X2	639.1 Da LogP 14.99 TPSA 20.2	2 viol.	✓ Clean	`CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=C…`
9UM	5W30	Q0PB90	271.1 Da LogP 1.02 TPSA 43.0	✓ Ro5	✓ Clean	`CC1=C(N2C(=C(C(=O)N2C1=O)C)CBr)C`
LFA	5W17	Q0PB90	282.6 Da LogP 8.05 TPSA 0.0	1 viol.	✓ Clean	`CCCCCCCCCCCCCCCCCCCC`
MBO	5W31	Q0PB90	321.7 Da LogP 0.56 TPSA 37.3	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)O)[Hg]`
MNB	5W2Z	Q0PB90	199.2 Da LogP 1.58 TPSA 80.4	✓ Ro5	✓ Clean	`c1cc(c(cc1S)C(=O)O)[N+](=O)[O-]`
OTP	1WUB	P83815	722.9 Da LogP 13.26 TPSA 113.3	2 viol.	✓ Clean	`CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC…`
SEC	5W2V	Q0PB90	168.1 Da LogP -1.28 TPSA 63.3	✓ Ro5	✓ Clean	`C([C@@H](C(=O)O)N)[SeH]`
UQ8	7BWL	Q9I690	727.1 Da LogP 14.40 TPSA 52.6	2 viol.	Alert	`CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\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
ZINC1532641	0.972	318.4 Da LogP 4.04 TPSA 52.6	✓ Ro5	Alert	`COC1=C(OC)C(=O)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O`
ZINC1559692	0.730	250.3 Da LogP 2.32 TPSA 52.6	✓ Ro5	Alert	`COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O`
ZINC8215740	0.697	246.1 Da LogP 1.18 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCO[P@@](=O)(O)OP(=O)(O)O`
ZINC1531959	0.676	246.3 Da LogP 4.33 TPSA 40.5	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C/Cc1cc(O)ccc1O`
ZINC71769106	0.657	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`
ZINC2575270	0.656	211.1 Da LogP 0.99 TPSA 117.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC4404106	0.656	212.1 Da LogP 1.20 TPSA 123.6	✓ Ro5	✓ Clean	`O=C(O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]`
ZINC2565533	0.655	256.1 Da LogP 0.90 TPSA 160.9	✓ Ro5	✓ Clean	`O=C(O)c1cc(C(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-]`
ZINC2553928	0.643	207.2 Da LogP -0.42 TPSA 69.0	✓ Ro5	✓ Clean	`Cc1c(C)n2c(CN)c(C)c(=O)n2c1=O`
ZINC8436838	0.639	262.1 Da LogP 0.15 TPSA 133.5	✓ Ro5	✓ Clean	`C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CO`
ZINC1689765	0.636	201.6 Da LogP 1.95 TPSA 80.4	✓ Ro5	✓ Clean	`O=C(O)c1cc(Cl)ccc1[N+](=O)[O-]`
ZINC1692553	0.636	246.0 Da LogP 2.06 TPSA 80.4	✓ Ro5	✓ Clean	`O=C(O)c1cc(Br)ccc1[N+](=O)[O-]`
ZINC34143793	0.636	293.0 Da LogP 1.90 TPSA 80.4	✓ Ro5	✓ Clean	`O=C(O)c1cc(I)ccc1[N+](=O)[O-]`
ZINC114185151	0.632	298.2 Da LogP 2.15 TPSA 108.7	✓ Ro5	Alert	`O=C(O)c1ccc(C(=O)C(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC13539354	0.615	332.2 Da LogP 3.20 TPSA 113.3	✓ Ro5	✓ Clean	`CC(C)=CCC/C(C)=C(\F)CO[P@](=O)(O)OP(=O)(O)O`
ZINC1545440	0.615	213.4 Da LogP 4.65 TPSA 26.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCN`
ZINC1644076	0.615	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCO`
ZINC1680803	0.615	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCO`
ZINC195766643	0.615	231.9 Da LogP 2.93 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCC[Sn+3]`
ZINC59144932	0.615	202.4 Da LogP 4.84 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCS`
ZINC134079	0.600	242.2 Da LogP 2.75 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(C(=O)O)cc2)cc1`
ZINC1640789	0.600	374.3 Da LogP 3.55 TPSA 108.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc…`
ZINC19801481	0.600	223.2 Da LogP 2.59 TPSA 80.4	✓ Ro5	✓ Clean	`CC(C)(C)c1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC2146859	0.600	270.2 Da LogP 2.31 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC3147211	0.600	318.3 Da LogP 4.42 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc1`
ZINC188555	0.591	350.3 Da LogP 4.67 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccc(Oc3ccc(C(=O)O)cc3)cc2)cc1`
ZINC241160	0.591	258.2 Da LogP 2.88 TPSA 83.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1`
ZINC1870293	0.583	247.1 Da LogP 0.10 TPSA 138.0	✓ Ro5	✓ Clean	`O=C(O)c1cc(P(=O)(O)O)ccc1[N+](=O)[O-]`
ZINC197020550	0.583	246.2 Da LogP -0.06 TPSA 140.6	✓ Ro5	✓ Clean	`NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC19845324	0.583	210.2 Da LogP 1.36 TPSA 83.7	✓ Ro5	✓ Clean	`CN(C)c1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC59269089	0.583	245.2 Da LogP 0.70 TPSA 114.6	✓ Ro5	✓ Clean	`CS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC72338575	0.583	235.1 Da LogP 2.31 TPSA 80.4	✓ Ro5	✓ Clean	`O=C(O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]`
ZINC7814925	0.583	213.2 Da LogP 2.01 TPSA 80.4	✓ Ro5	✓ Clean	`CSc1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC3845121	0.576	226.1 Da LogP 0.57 TPSA 143.8	✓ Ro5	✓ Clean	`Nc1cc([N+](=O)[O-])c(C(=O)O)cc1C(=O)O`
ZINC100027350	0.571	227.4 Da LogP 4.91 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCNCCCCCCC`
ZINC1627284	0.571	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCOCCCCCCC`
ZINC1699899	0.571	202.4 Da LogP 4.88 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCSCCCCCC`
ZINC1724011	0.571	213.4 Da LogP 4.52 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCNCCCCCCC`
ZINC2564179	0.571	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCCOCCCCCC`
ZINC4284655	0.568	224.2 Da LogP 1.25 TPSA 109.5	✓ Ro5	✓ Clean	`CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC389804	0.565	214.2 Da LogP 2.76 TPSA 57.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(O)cc2)cc1`
ZINC392302	0.560	230.2 Da LogP 2.88 TPSA 66.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccc(O)cc2)cc1`
ZINC346060	0.559	245.6 Da LogP 1.64 TPSA 117.7	✓ Ro5	✓ Clean	`O=C(O)c1cc(C(=O)O)c([N+](=O)[O-])cc1Cl`
ZINC14985550	0.553	225.2 Da LogP 1.08 TPSA 106.7	✓ Ro5	✓ Clean	`COC(=O)c1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC15443713	0.553	236.2 Da LogP 1.89 TPSA 83.7	✓ Ro5	✓ Clean	`O=C(O)c1cc(N2CCCC2)ccc1[N+](=O)[O-]`
ZINC1610707	0.553	269.3 Da LogP 3.46 TPSA 80.4	✓ Ro5	✓ Clean	`O=C(O)c1cc(/C=C/c2ccccc2)ccc1[N+](=O)[O-]`
ZINC19400583	0.553	225.2 Da LogP 2.08 TPSA 89.7	✓ Ro5	✓ Clean	`CC(C)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1`
ZINC22163863	0.553	259.2 Da LogP 3.09 TPSA 89.7	✓ Ro5	✓ Clean	`O=C(O)c1cc(Oc2ccccc2)ccc1[N+](=O)[O-]`
ZINC5160214	0.553	269.3 Da LogP 3.46 TPSA 80.4	✓ Ro5	✓ Clean	`O=C(O)c1cc(/C=C\c2ccccc2)ccc1[N+](=O)[O-]`
ZINC388063	0.545	201.0 Da LogP 2.15 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Br)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.