Protein profile

KP13_04205

Formate acetyltransferase 1

Genome: KpKP13

Gene: pflB AHE45436.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GUZ7

Export view

Amino acids 760

Annotations 7

Features 19

PDB binders 10

Druggability 0.453

Overview

Basic information about this protein and its source genome.

Accession: KP13_04205
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: pflB AHE45436.1
Status: annotated
Amino acids: 760
Structure source: AlphaFold + ColabFold

2.3.1.54

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0008861 Catalysis of the reaction: acetyl-CoA + formate = CoA + pyruvate. GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0006006 The chemical reactions and pathways involving glucose, the aldohexose gluco-hexose. D-glucose is dextrorotatory and is sometimes known as dextrose; it is an important source of energy for living organisms and is found free as well as combined in homo- and hetero-oligosaccharides and polysaccharides.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Human identity (%): 0.0
Gut microbiome off-target: hit
Essential (DEG): Y
DEG identity (%): 84.675
DEG E-value: 0.0
Localization: Cytoplasmic
ColabFold pLDDT: 98.0

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 0.453

Structure A0A0H3GUZ7

Pocket Pocket 22

P2Rank 0.277

Structure A0A0H3GUZ7

Pocket Pocket 1

ColabFold model

FPocket 0.733 · Pocket 17

P2Rank 0.266 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 2502 / 4744 genomes with a hit

Normalized 0.527

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Enzyme Commission (EC)

2.3.1.54

Gene Ontology (GO)

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0008861 Catalysis of the reaction: acetyl-CoA + formate = CoA + pyruvate.
GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
GO:0006006 The chemical reactions and pathways involving glucose, the aldohexose gluco-hexose. D-glucose is dextrorotatory and is sometimes known as dextrose; it is an important source of energy for living organisms and is found free as well as combined in homo- and hetero-oligosaccharides and polysaccharides.

Sequence Features

Domain/signature hits from InterPro and related databases.

19 records

Show feature table

Start	End	DB	Term	Name
1	760	PANTHER	PTHR30191	FORMATE ACETYLTRANSFERASE
4	759	SUPERFAMILY	SSF51998	PFL-like glycyl radical enzymes
630	741	Pfam	PF01228	Glycine radical
630	741	InterPro	IPR001150	Glycine radical domain
23	614	Pfam	PF02901	Pyruvate formate lyase-like
23	614	InterPro	IPR004184	Pyruvate formate lyase domain
632	760	ProSiteProfiles	PS51149	Glycine radical domain profile.
632	760	InterPro	IPR001150	Glycine radical domain
8	760	PIRSF	PIRSF000379	For_Ac_trans_1
730	738	ProSitePatterns	PS00850	Glycine radical domain signature.
730	738	InterPro	IPR019777	Formate C-acetyltransferase glycine radical, conserved site
3	760	FunFam	G3DSA:3.20.70.20:FF:000003	Formate acetyltransferase
11	756	CDD	cd01678	PFL1
11	756	InterPro	IPR005949	Formate acetyltransferase
3	625	ProSiteProfiles	PS51554	Pyruvate formate-lyase domain profile.
3	625	InterPro	IPR004184	Pyruvate formate lyase domain
11	760	NCBIfam	TIGR01255	formate C-acetyltransferase
11	760	InterPro	IPR005949	Formate acetyltransferase
3	760	Gene3D	G3DSA:3.20.70.20	-

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...

Legend High Medium Low

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_A0A0H3GUZ7	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_04205	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
22				0.453
44				0.331
19				0.248

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	4.25	0.175
2	1.3	0.014
3	1.27	0.013
4	0.62	0.0

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				0.733

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	3.86	0.15
2	2.87	0.091
3	2.5	0.069
4	1.69	0.029
5	1.62	0.026

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.

42 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
8X3	7KQ3	E5Y378	126.1 Da LogP -1.13 TPSA 74.6	✓ Ro5	✓ Clean	`C(CS(=O)(=O)O)O`
BTL	6ND3	Q30W70	102.2 Da LogP -0.11 TPSA 17.1	✓ Ro5	✓ Clean	`C[N+](C)(C)CC=O`
CHT	5A0U	A0A0M3KL44	104.2 Da LogP -0.32 TPSA 20.2	✓ Ro5	✓ Clean	`C[N+](C)(C)CCO`
DTL	1H16	P09373	122.1 Da LogP -2.31 TPSA 80.9	✓ Ro5	✓ Clean	`C([C@@H]([C@H](CO)O)O)O`
FUM	5BWD	O68395	116.1 Da LogP -0.29 TPSA 74.6	✓ Ro5	✓ Clean	`C(=C/C(=O)O)\C(=O)O`
HYP	6VXE	A0A031WDE4	131.1 Da LogP -1.21 TPSA 69.6	✓ Ro5	✓ Clean	`C1[C@H](CN[C@@H]1C(=O)O)O`
MBN	5BWE	O68395	92.1 Da LogP 2.00 TPSA 0.0	✓ Ro5	✓ Clean	`Cc1ccccc1`
MLI	5FAV	Q30W70	102.0 Da LogP -3.12 TPSA 80.3	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(=O)[O-]`
PYR	1H16	P09373	88.1 Da LogP -0.34 TPSA 54.4	✓ Ro5	✓ Clean	`CC(=O)C(=O)O`
RP7	6VUE	Q30W70	113.2 Da LogP -0.15 TPSA 23.5	✓ Ro5	✓ Clean	`CN1CC=C[C@@H](C1)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
ZINC1732765	0.625	246.3 Da LogP -2.20 TPSA 108.7	✓ Ro5	✓ Clean	`O=S(=O)(CCO)CCS(=O)(=O)CCO`
ZINC100055463	0.615	212.2 Da LogP -4.22 TPSA 141.6	1 viol.	✓ Clean	`OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO`
ZINC100064885	0.615	212.2 Da LogP -4.22 TPSA 141.6	1 viol.	✓ Clean	`OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO`
ZINC17780060	0.615	212.2 Da LogP -4.22 TPSA 141.6	1 viol.	✓ Clean	`OC[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H](O)CO`
ZINC17952732	0.615	212.2 Da LogP -4.22 TPSA 141.6	1 viol.	✓ Clean	`OC[C@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO`
ZINC18042331	0.615	242.2 Da LogP -4.86 TPSA 161.8	1 viol.	✓ Clean	`OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]…`
ZINC18120313	0.615	212.2 Da LogP -4.22 TPSA 141.6	1 viol.	✓ Clean	`OC[C@H](O)[C@H](O)C(O)[C@H](O)[C@H](O)CO`
ZINC3979006	0.615	212.2 Da LogP -4.22 TPSA 141.6	1 viol.	✓ Clean	`OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO`
ZINC4403103	0.615	242.2 Da LogP -4.86 TPSA 161.8	1 viol.	✓ Clean	`OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H…`
ZINC4403105	0.615	242.2 Da LogP -4.86 TPSA 161.8	1 viol.	✓ Clean	`OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H…`
ZINC4403107	0.615	242.2 Da LogP -4.86 TPSA 161.8	1 viol.	✓ Clean	`OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@…`
ZINC9212412	0.615	212.2 Da LogP -4.22 TPSA 141.6	1 viol.	✓ Clean	`OC[C@H](O)[C@@H](O)C(O)[C@H](O)[C@@H](O)CO`
ZINC1763010	0.563	218.3 Da LogP -0.46 TPSA 108.7	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCCS(=O)(=O)O`
ZINC5225211	0.563	204.2 Da LogP -0.85 TPSA 108.7	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCS(=O)(=O)O`
ZINC169816223	0.556	441.2 Da LogP 3.37 TPSA 0.0	✓ Ro5	✓ Clean	`Cc1ccc([Sn](c2ccccc2)(c2ccccc2)c2ccccc2)cc1`
ZINC5113156	0.529	246.3 Da LogP 0.32 TPSA 108.7	✓ Ro5	✓ Clean	`O=S(=O)(O)CCCCCCS(=O)(=O)O`
ZINC102483387	0.526	248.1 Da LogP 3.52 TPSA 0.0	✓ Ro5	✓ Clean	`Cc1ccc([Br+]c2ccccc2)cc1`
ZINC1095307	0.526	200.3 Da LogP 4.15 TPSA 0.0	✓ Ro5	✓ Clean	`Cc1ccc(Sc2ccccc2)cc1`
ZINC169816994	0.526	350.5 Da LogP 3.37 TPSA 0.0	✓ Ro5	✓ Clean	`Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1`
ZINC169818667	0.526	378.6 Da LogP 3.99 TPSA 0.0	✓ Ro5	✓ Clean	`Cc1ccc([Si](c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)c…`
ZINC195766500	0.526	226.4 Da LogP 2.82 TPSA 0.0	✓ Ro5	✓ Clean	`Cc1ccc([Si](C)(C)c2ccccc2)cc1`
ZINC1659810	0.524	213.3 Da LogP -1.84 TPSA 98.1	✓ Ro5	✓ Clean	`O=S(=O)(O)CCN(CCO)CCO`
ZINC13541521	0.515	202.2 Da LogP -1.70 TPSA 98.7	✓ Ro5	✓ Clean	`C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(=O)O`
ZINC100473925	0.500	256.2 Da LogP -1.50 TPSA 132.8	✓ Ro5	✓ Clean	`O=C(O)/C=C\C(=O)NCCNC(=O)/C=C\C(=O)O`
ZINC115955979	0.500	214.2 Da LogP -1.10 TPSA 93.1	✓ Ro5	✓ Clean	`O=S(=O)(O)CCOCCOCCO`
ZINC1679042	0.500	256.2 Da LogP -1.50 TPSA 132.8	✓ Ro5	✓ Clean	`O=C(O)/C=C/C(=O)NCCNC(=O)/C=C/C(=O)O`
ZINC1841234	0.500	224.3 Da LogP 3.06 TPSA 34.1	✓ Ro5	Alert	`Cc1ccc(C(=O)C(=O)c2ccccc2)cc1`
ZINC39591801	0.500	258.3 Da LogP -1.08 TPSA 102.3	✓ Ro5	✓ Clean	`O=S(=O)(O)CCOCCOCCOCCO`
ZINC4866352	0.500	282.3 Da LogP -1.06 TPSA 115.2	✓ Ro5	✓ Clean	`O=C(O)/C=C/C(=O)N1CCN(C(=O)/C=C/C(=O)O)CC1`
ZINC5113716	0.500	232.3 Da LogP -2.24 TPSA 108.7	✓ Ro5	✓ Clean	`O=S(=O)(CCO)CS(=O)(=O)CCO`
ZINC8616656	0.500	256.2 Da LogP -1.50 TPSA 132.8	✓ Ro5	✓ Clean	`O=C(O)C=CC(=O)NCCNC(=O)C=CC(=O)O`
ZINC90623560	0.500	256.2 Da LogP -1.50 TPSA 132.8	✓ Ro5	✓ Clean	`O=C(O)/C=C\C(=O)NCCNC(=O)/C=C/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.