Protein profile

VK055_2937

copper binding protein CutA

Genome: KpATCC43816

Gene: cutA AIK81523.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GH55

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Amino acids 107

Annotations 3

Features 11

PDB binders 2

Druggability 0.035

Overview

Basic information about this protein and its source genome.

Accession: VK055_2937
Assembly: Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene: cutA AIK81523.1
Status: annotated
Amino acids: 107
Structure source: AlphaFold + ColabFold

GO:0005507 Binding to a copper (Cu) ion. GO:0010038 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a metal ion stimulus. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 40.541
Human E-value: 7.82e-16
Gut microbiome off-target: hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Cytoplasmic
ColabFold pLDDT: 96.98

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 0.035

Structure A0A0H3GH55

Pocket Pocket 1

P2Rank 0.123

Structure A0A0H3GH55

Pocket Pocket 1

ColabFold model

FPocket 0.166 · Pocket 1

P2Rank 0.163 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 95 / 4744 genomes with a hit

Normalized 0.02

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

GO:0005507 Binding to a copper (Cu) ion.
GO:0010038 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a metal ion stimulus.
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records

Show feature table

Start	End	DB	Term	Name
1	107	Hamap	MF_01160	Divalent-cation tolerance protein CutA [cutA].
1	107	InterPro	IPR023700	Divalent cation tolerance protein CutA, Enterobacteria
5	106	PANTHER	PTHR23419	DIVALENT CATION TOLERANCE CUTA-RELATED
5	106	InterPro	IPR004323	Divalent ion tolerance protein, CutA
7	104	Pfam	PF03091	CutA1 divalent ion tolerance protein
7	104	InterPro	IPR004323	Divalent ion tolerance protein, CutA
1	107	FunFam	G3DSA:3.30.70.120:FF:000004	Divalent-cation tolerance protein CutA
1	107	Gene3D	G3DSA:3.30.70.120	-
1	107	InterPro	IPR015867	Nitrogen regulatory protein PII/ATP phosphoribosyltransferase, C-terminal
3	106	SUPERFAMILY	SSF54913	GlnB-like
3	106	InterPro	IPR011322	Nitrogen regulatory PII-like, alpha/beta

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_A0A0H3GH55	AlphaFold	—	—	full sequence	—	Viewing
ColabFold VK055_2937	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				2.84	0.089

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				3.27	0.114

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
BTB	6GDV	Q31KX8	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`C(CO)N(CCO)C(CO)(CO)CO`
MBO	1NAQ	P69488	321.7 Da LogP 0.56 TPSA 37.3	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)O)[Hg]`

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
ZINC1615342	1.000	209.2 Da LogP -3.01 TPSA 104.4	✓ Ro5	✓ Clean	`OCCN(CCO)C(CO)(CO)CO`
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`
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…`
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`
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`
ZINC167246	0.545	248.0 Da LogP 1.99 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(I)cc1`
ZINC3269660	0.545	254.2 Da LogP 2.45 TPSA 71.4	✓ Ro5	Alert	`O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1`
ZINC34573580	0.545	496.5 Da LogP 4.86 TPSA 149.2	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(c2ccc(C(=O)O)cc2)(c2ccc(C(=O)O)cc…`
ZINC388063	0.545	201.0 Da LogP 2.15 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Br)cc1`
ZINC13375284	0.522	270.2 Da LogP 3.50 TPSA 99.3	✓ Ro5	Alert	`O=C(O)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1`
ZINC156520	0.522	268.3 Da LogP 3.25 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1`
ZINC1651850	0.522	270.3 Da LogP 2.87 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(CCc2ccc(C(=O)O)cc2)cc1`
ZINC1759946	0.522	256.3 Da LogP 2.67 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Cc2ccc(C(=O)O)cc2)cc1`
ZINC1857524265	0.522	268.3 Da LogP 3.25 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C=Cc2ccc(C(=O)O)cc2)cc1`
ZINC2334905	0.522	261.4 Da LogP 1.10 TPSA 63.9	✓ Ro5	✓ Clean	`CC(C)CCN(CCC(C)C)C(CO)(CO)CO`
ZINC2504355	0.522	226.2 Da LogP 2.62 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccccc2)cc1`
ZINC3159953	0.522	261.4 Da LogP 1.38 TPSA 63.9	✓ Ro5	✓ Clean	`CCCCCN(CCCCC)C(CO)(CO)CO`
ZINC32299177	0.522	266.3 Da LogP 2.48 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C#Cc2ccc(C(=O)O)cc2)cc1`
ZINC34009333	0.522	376.4 Da LogP 3.96 TPSA 111.9	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2…`
ZINC34057267	0.522	274.3 Da LogP 4.72 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1`
ZINC346855	0.522	274.3 Da LogP 3.23 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Sc2ccc(C(=O)O)cc2)cc1`
ZINC4309722	0.522	270.2 Da LogP 3.50 TPSA 99.3	✓ Ro5	Alert	`O=C(O)c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1`
ZINC4792283	0.522	268.3 Da LogP 3.25 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(/C=C\c2ccc(C(=O)O)cc2)cc1`
ZINC59301968	0.522	394.3 Da LogP 2.54 TPSA 111.9	✓ Ro5	✓ Clean	`O=C(O)c1ccc(P(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2…`
ZINC8418684	0.522	257.2 Da LogP 2.83 TPSA 86.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Nc2ccc(C(=O)O)cc2)cc1`
ZINC95080304	0.522	377.4 Da LogP 4.25 TPSA 115.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(N(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2…`
ZINC96024941	0.522	366.4 Da LogP 3.88 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C#Cc2ccc(C#Cc3ccc(C(=O)O)cc3)cc2)cc1`
ZINC112963478	0.520	358.3 Da LogP 2.10 TPSA 127.2	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC2163682	0.520	302.3 Da LogP 2.54 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(OCCOc2ccc(C(=O)O)cc2)cc1`
ZINC263618653	0.520	302.2 Da LogP 2.82 TPSA 117.8	✓ Ro5	Alert	`O=C(O)c1ccc(O/N=N/Oc2ccc(C(=O)O)cc2)cc1`
ZINC3150492	0.520	406.3 Da LogP 3.52 TPSA 127.2	✓ Ro5	✓ Clean	`O=C(O)c1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(C(=O)O)cc3)…`
ZINC60939	0.520	214.2 Da LogP 3.18 TPSA 46.5	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccccc2)cc1`
ZINC642881183	0.520	350.3 Da LogP 3.83 TPSA 115.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2cc(O)c(-c3ccc(C(=O)O)cc3)cc2O)cc1`
ZINC754399	0.520	362.3 Da LogP 4.11 TPSA 100.9	✓ Ro5	✓ Clean	`O=C(O)c1ccc(Oc2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1`
ZINC1594026	0.500	284.3 Da LogP 3.41 TPSA 74.6	✓ Ro5	✓ Clean	`CC(C)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1`
ZINC166414480	0.500	322.3 Da LogP 2.00 TPSA 126.2	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2nnc(-c3ccc(C(=O)O)cc3)nn2)cc1`
ZINC1728705	0.500	239.5 Da LogP 3.21 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(Cl)(Cl)Cl)cc1`
ZINC1846432	0.500	316.3 Da LogP 2.93 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(O)c1ccc(OCCCOc2ccc(C(=O)O)cc2)cc1`
ZINC195408276	0.500	300.4 Da LogP 1.91 TPSA 74.6	✓ Ro5	✓ Clean	`C[Si](C)(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1`
ZINC2528579	0.500	441.4 Da LogP 3.97 TPSA 150.6	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2nc(-c3ccc(C(=O)O)cc3)nc(-c3ccc(C…`
ZINC3129995	0.500	446.5 Da LogP 2.75 TPSA 142.9	✓ Ro5	✓ Clean	`O=C(O)c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)…`
ZINC32189977	0.500	272.3 Da LogP 2.16 TPSA 94.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(O)c2ccc(C(=O)O)cc2)cc1`
ZINC33246180	0.500	242.2 Da LogP 3.51 TPSA 82.2	✓ Ro5	Alert	`O=C(O)c1ccc(N=Nc2ccc(O)cc2)cc1`
ZINC348142	0.500	306.3 Da LogP 1.92 TPSA 108.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC5580842	0.500	316.3 Da LogP 2.89 TPSA 98.7	✓ Ro5	✓ Clean	`O=C(O)c1ccc(NC(=S)Nc2ccc(C(=O)O)cc2)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.