Protein profile

VK055_0049

ferritin-like domain protein

Genome: KpATCC43816

Gene: AIK78677.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GUW7

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Amino acids 156

Annotations 1

Features 10

PDB binders 6

Druggability 0.394

Overview

Basic information about this protein and its source genome.

Accession: VK055_0049
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: AIK78677.1
Status: annotated
Amino acids: 156
Structure source: AlphaFold + ColabFold

GO:0008199 Binding to a ferric iron ion, Fe(III).

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 (%): 35.862
Localization: Cytoplasmic
ColabFold pLDDT: 92.67

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 0.394

Structure A0A0H3GUW7

Pocket Pocket 6

P2Rank 0.034

Structure A0A0H3GUW7

Pocket Pocket 1

ColabFold model

FPocket 0.823 · Pocket 3

P2Rank 0.311 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 45 / 4744 genomes with a hit

Normalized 0.009

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

GO:0008199 Binding to a ferric iron ion, Fe(III).

Sequence Features

Domain/signature hits from InterPro and related databases.

10 records

Show feature table

Start	End	DB	Term	Name
1	145	SUPERFAMILY	SSF47240	Ferritin-like
1	145	InterPro	IPR009078	Ferritin-like superfamily
1	153	Gene3D	G3DSA:1.20.1260.10	-
1	153	InterPro	IPR012347	Ferritin-like
1	145	CDD	cd01055	Nonheme_Ferritin
1	145	InterPro	IPR041719	Ferritin, prokaryotic-type
1	132	ProSiteProfiles	PS50905	Ferritin-like diiron domain profile.
1	132	InterPro	IPR009040	Ferritin-like diiron domain
1	129	Pfam	PF00210	Ferritin-like domain
1	129	InterPro	IPR008331	Ferritin/DPS protein domain

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_A0A0H3GUW7	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_0049	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
6				0.394
7				0.008
1				0.004
2				0.001

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	1.96	0.034
2	1.59	0.02
3	0.84	0.003

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
3				0.823
15				0.2
1				0.002
4				0.0

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	Score	Probability
1	7.14	0.311
2	2.36	0.05
3	2.16	0.042
4	2.0	0.036
5	0.96	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.

52 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
FEO	4ZTT	P0A998	127.7 Da LogP -0.07 TPSA 9.2	✓ Ro5	✓ Clean	`O([Fe])[Fe]`
LFA	1Z4A	Q9X0L2	282.6 Da LogP 8.05 TPSA 0.0	1 viol.	✓ Clean	`CCCCCCCCCCCCCCCCCCCC`
O	4ZTT	P0A998	18.0 Da LogP -0.82 TPSA 31.5	✓ Ro5	✓ Clean	`O`
OFO	4XGS	P0A998	144.7 Da LogP -0.63 TPSA 29.5	✓ Ro5	✓ Clean	`O[Fe]O[Fe]`
OXY	4ZTT	P0A998	32.0 Da LogP 0.07 TPSA 34.1	✓ Ro5	✓ Clean	`O=O`
PER	4ZTT	P0A998	32.0 Da LogP -2.38 TPSA 46.1	✓ Ro5	✓ Clean	`[O-][O-]`

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
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`
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`
ZINC100050955	0.533	327.6 Da LogP 4.48 TPSA 36.1	✓ Ro5	✓ Clean	`CCCCCCCCNCCNCCNCCCCCCCC`
ZINC100077022	0.533	227.4 Da LogP 4.86 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCCCN(C)CCCCCCC`
ZINC100924963	0.533	284.5 Da LogP 4.89 TPSA 24.1	✓ Ro5	✓ Clean	`CCCCCCCCNCCNCCCCCCCC`
ZINC106401282	0.533	227.4 Da LogP 4.91 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCNC`
ZINC1673414	0.533	228.4 Da LogP 4.61 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[N+](C)(C)C`
ZINC1687260	0.533	213.4 Da LogP 4.47 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCN(C)C`
ZINC1700269	0.533	200.4 Da LogP 3.83 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCC[N+](C)(C)C`
ZINC2555244	0.533	227.4 Da LogP 4.86 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCN(C)C`
ZINC35052519	0.533	228.4 Da LogP 3.33 TPSA 24.1	✓ Ro5	✓ Clean	`CCCCCCNCCNCCCCCC`
ZINC59359855	0.533	231.5 Da LogP 4.79 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[S+](C)C`
ZINC100015910	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC[C@@H](O)CCCCCC`
ZINC114881475	0.500	206.4 Da LogP 4.31 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCC(S)S`
ZINC1593347	0.500	246.5 Da LogP 4.68 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCS(=O)CCCCCCC`
ZINC1599570	0.500	227.4 Da LogP 4.86 TPSA 3.2	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)CCCCC`
ZINC1605994	0.500	202.4 Da LogP 4.88 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCSCC`
ZINC1606032	0.500	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC[C@@H](O)CCCCC`
ZINC1606040	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCC[C@@H](O)CCCCC`
ZINC1606049	0.500	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC(O)CCCCCC`
ZINC1672455	0.500	226.4 Da LogP 4.07 TPSA 34.1	✓ Ro5	Alert	`CCCCCCC(=O)C(=O)CCCCCC`
ZINC1687262	0.500	213.4 Da LogP 4.52 TPSA 12.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNCC`
ZINC1693894	0.500	212.4 Da LogP 4.89 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC=O`
ZINC1697133	0.500	214.4 Da LogP 4.94 TPSA 9.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCOCC`
ZINC169808442	0.500	305.1 Da LogP 4.57 TPSA 17.1	✓ Ro5	✓ Clean	`CCCCCC[Sn](=O)CCCCCC`
ZINC196468891	0.500	261.0 Da LogP 3.91 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCC[Sn+2]CCCCC`
ZINC20231719	0.500	234.4 Da LogP 3.56 TPSA 34.1	✓ Ro5	✓ Clean	`CCCCCCS(=O)(=O)CCCCCC`
ZINC2166283	0.500	262.5 Da LogP 4.34 TPSA 34.1	✓ Ro5	✓ Clean	`CCCCCCCCS(=O)(=O)CCCCCC`
ZINC221753674	0.500	324.3 Da LogP 4.61 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCC[Sn](Cl)(Cl)Cl`
ZINC2508105	0.500	200.4 Da LogP 4.29 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC[C@H](O)CCCCC`
ZINC2509968	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCC[C@H](O)CCCCCC`
ZINC2528299	0.500	214.4 Da LogP 4.68 TPSA 20.2	✓ Ro5	✓ Clean	`CCCCCCCC[C@H](O)CCCCC`
ZINC2900787	0.500	228.4 Da LogP 4.61 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCC[N+](CC)(CC)CC`
ZINC45331803	0.500	201.4 Da LogP 3.80 TPSA 35.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCON`
ZINC59631801	0.500	200.4 Da LogP 3.37 TPSA 38.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNN`
ZINC60107866	0.500	242.5 Da LogP 4.41 TPSA 24.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCNNCCC`
ZINC71773056	0.500	200.4 Da LogP 3.32 TPSA 29.3	✓ Ro5	✓ Clean	`CCCCCCN(N)CCCCCC`
ZINC97973035	0.500	212.4 Da LogP 4.23 TPSA 49.9	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=N)N`

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.