Protein profile

VK055_0288

metQ

Genome: KpATCC43816

Gene: metQ AIK78914.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GZF8

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Amino acids 266

Annotations 1

Features 20

PDB binders 0

Druggability 0.647

Overview

Basic information about this protein and its source genome.

Accession: VK055_0288
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: metQ AIK78914.1
Status: annotated
Amino acids: 266
Structure source: AlphaFold + ColabFold

GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

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 (%): 38.554
Localization: CytoplasmicMembrane
ColabFold pLDDT: 93.02

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 0.647

Structure A0A0H3GZF8

Pocket Pocket 1

P2Rank 0.318

Structure A0A0H3GZF8

Pocket Pocket 1

ColabFold model

FPocket 0.731 · Pocket 17

P2Rank 0.316 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 124 / 4744 genomes with a hit

Normalized 0.026

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

20 records

Show feature table

Start	End	DB	Term	Name
16	266	NCBIfam	TIGR00363	MetQ/NlpA family lipoprotein
16	266	InterPro	IPR004872	Lipoprotein NlpA family
23	266	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
110	216	Gene3D	G3DSA:3.40.190.10	-
1	22	Phobius	SIGNAL_PEPTIDE	Signal peptide region
1	24	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
1	20	ProSiteProfiles	PS51257	Prokaryotic membrane lipoprotein lipid attachment site profile.
4	17	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
1	266	PIRSF	PIRSF002854	MetQ
1	266	InterPro	IPR004872	Lipoprotein NlpA family
27	266	SUPERFAMILY	SSF53850	Periplasmic binding protein-like II
27	256	CDD	cd13598	PBP2_lipoprotein_IlpA_like
1	266	PANTHER	PTHR30429	D-METHIONINE-BINDING LIPOPROTEIN METQ
18	22	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
34	260	Gene3D	G3DSA:3.40.190.10	-
1	19	SignalP_EUK	SignalP-noTM	SignalP-noTM
1	18	SignalP_GRAM_NEGATIVE	SignalP-noTM	SignalP-noTM
1	3	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
28	266	Pfam	PF03180	NlpA lipoprotein
28	266	InterPro	IPR004872	Lipoprotein NlpA family

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_A0A0H3GZF8	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_0288	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				0.647
18				0.183
3				0.092
4				0.028

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	Score	Probability
1	7.26	0.318
2	2.79	0.069
3	0.77	0.002

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
17				0.731
1				0.473
2				0.117
5				0.041

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	Score	Probability
1	7.23	0.316
2	3.81	0.119
3	1.06	0.006
4	1.05	0.006

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.

50 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.

No PDB ligands found through similar proteins.

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
ZINC1674993	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSCCSCC[C@H](N)C(=O)O)C(=O)O`
ZINC1674994	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSCCSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1674996	0.640	296.4 Da LogP 0.06 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCSCCSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1529407	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSC[C@@H](N)C(=O)O)C(=O)O`
ZINC1532680	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O`
ZINC1708207	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCSC[C@H](N)C(=O)O)C(=O)O`
ZINC1708208	0.615	222.3 Da LogP -1.07 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CSCC[C@@H](N)C(=O)O)C(=O)O`
ZINC1605257	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)O`
ZINC1605258	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](NC(=O)[C@H](N)CCSC)C(=O)O`
ZINC1605259	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](CCSC)C(=O)O`
ZINC1605260	0.613	280.4 Da LogP 0.39 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@H](CCSC)C(=O)O`
ZINC2384801	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC4556875	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC4556876	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC4556877	0.613	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC1569523	0.581	206.3 Da LogP -0.73 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)NCC(=O)O`
ZINC1593212	0.581	206.3 Da LogP -0.73 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)NCC(=O)O`
ZINC2384813	0.576	236.3 Da LogP -1.37 TPSA 112.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O`
ZINC2384835	0.576	264.3 Da LogP -0.89 TPSA 129.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O`
ZINC2390943	0.576	248.3 Da LogP 0.29 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC4557150	0.576	236.3 Da LogP -1.37 TPSA 112.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](CO)C(=O)O`
ZINC4899465	0.576	411.6 Da LogP 0.63 TPSA 121.5	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC…`
ZINC64219373	0.576	411.6 Da LogP 0.63 TPSA 121.5	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](CCSC)…`
ZINC11755051	0.567	204.3 Da LogP 0.94 TPSA 46.3	✓ Ro5	✓ Clean	`CCN(CC)C(=O)[C@@H](N)CCSC`
ZINC57358674	0.567	205.3 Da LogP 1.41 TPSA 52.3	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)OC(C)(C)C`
ZINC57933694	0.567	205.3 Da LogP 1.41 TPSA 52.3	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)OC(C)(C)C`
ZINC62725402	0.567	204.3 Da LogP 0.94 TPSA 46.3	✓ Ro5	✓ Clean	`CCN(CC)C(=O)[C@H](N)CCSC`
ZINC2522690	0.563	220.3 Da LogP -0.34 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)NCCC(=O)O`
ZINC1698833	0.552	203.2 Da LogP 1.04 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@@H](CCSC(F)(F)F)C(=O)O`
ZINC2041757	0.552	203.2 Da LogP 1.04 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@H](CCSC(F)(F)F)C(=O)O`
ZINC1576323	0.543	263.3 Da LogP -1.49 TPSA 135.5	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O`
ZINC1576325	0.543	263.3 Da LogP -1.49 TPSA 135.5	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)O`
ZINC2390945	0.543	262.4 Da LogP 0.68 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O`
ZINC2516118	0.543	278.3 Da LogP -0.50 TPSA 129.7	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O`
ZINC4557160	0.543	262.4 Da LogP 0.68 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O`
ZINC4557161	0.543	262.4 Da LogP 0.68 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O`
ZINC4557162	0.543	262.4 Da LogP 0.68 TPSA 92.4	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)O`
ZINC3055005	0.542	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	0.542	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	0.542	204.2 Da LogP -0.63 TPSA 126.6	✓ Ro5	✓ Clean	`N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O`
ZINC106506744	0.531	303.5 Da LogP 4.44 TPSA 63.3	✓ Ro5	✓ Clean	`CCCCCCCCCCCCSCC[C@H](N)C(=O)O`
ZINC11754909	0.531	204.3 Da LogP 0.84 TPSA 55.1	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)NCC(C)C`
ZINC11754910	0.531	202.3 Da LogP 0.69 TPSA 46.3	✓ Ro5	✓ Clean	`CSCC[C@H](N)C(=O)N1CCCC1`
ZINC1757778	0.531	222.3 Da LogP 0.37 TPSA 66.6	✓ Ro5	✓ Clean	`CN(C)C(=S)SCC[C@H](N)C(=O)O`
ZINC2033572	0.531	222.3 Da LogP 0.37 TPSA 66.6	✓ Ro5	✓ Clean	`CN(C)C(=S)SCC[C@@H](N)C(=O)O`
ZINC34175843	0.531	202.3 Da LogP 0.69 TPSA 46.3	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)N1CCCC1`
ZINC40457786	0.531	204.3 Da LogP 0.98 TPSA 55.1	✓ Ro5	✓ Clean	`CC[C@H](C)NC(=O)[C@@H](N)CCSC`
ZINC62725431	0.531	204.3 Da LogP 0.84 TPSA 55.1	✓ Ro5	✓ Clean	`CSCC[C@@H](N)C(=O)NCC(C)C`
ZINC62725433	0.531	204.3 Da LogP 0.98 TPSA 55.1	✓ Ro5	✓ Clean	`CC[C@@H](C)NC(=O)[C@H](N)CCSC`
ZINC62725435	0.531	204.3 Da LogP 0.98 TPSA 55.1	✓ Ro5	✓ Clean	`CC[C@H](C)NC(=O)[C@H](N)CCSC`

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.