Protein profile

HT085_RS00315

formate--tetrahydrofolate ligase

Genome: NZ_AP023069.1

Gene: fhs TUM19854C_00530 N776_09010 NGK_0086 Structure source: AlphaFold UniProt B4RP08 UniProt A0AA44U8Q2

Export view

Amino acids 558

Annotations 4

Features 21

PDB binders 9

Overview

Basic information about this protein and its source genome.

Accession: HT085_RS00315
Assembly: Neisseria gonorrhoeae strain TUM19854 chromosome, complete genome
Gene: fhs TUM19854C_00530 N776_09010 NGK_0086
Status: annotated
Amino acids: 558
Structure source: AlphaFold

6.3.4.3

GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0004329 Catalysis of the reaction: ATP + formate + tetrahydrofolate = ADP + phosphate + 10-formyltetrahydrofolate. GO:0035999 The chemical reactions and pathways by which one-carbon (C1) units are transferred between tetrahydrofolate molecules, to synthesize other tetrahydrofolate molecules.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Gut microbiome off-target: hit
Essential (DEG): Y
Localization: Cytoplasmic

Selected Druggability evidence

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 Low

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 3 GO

Enzyme Commission (EC)

6.3.4.3

Gene Ontology (GO)

GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
GO:0004329 Catalysis of the reaction: ATP + formate + tetrahydrofolate = ADP + phosphate + 10-formyltetrahydrofolate.
GO:0035999 The chemical reactions and pathways by which one-carbon (C1) units are transferred between tetrahydrofolate molecules, to synthesize other tetrahydrofolate molecules.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records

Show feature table

Start	End	DB	Term	Name
5	427	Gene3D	G3DSA:3.40.50.300	-
5	427	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
445	534	Gene3D	G3DSA:3.10.410.10	Formyltetrahydrofolate synthetase, domain 3
130	248	Gene3D	G3DSA:3.30.1510.10	-
329	340	ProSitePatterns	PS00722	Formate--tetrahydrofolate ligase signature 2.
329	340	InterPro	IPR020628	Formate-tetrahydrofolate ligase, FTHFS, conserved site
1	509	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
445	534	FunFam	G3DSA:3.10.410.10:FF:000001	Putative formate--tetrahydrofolate ligase
4	558	Pfam	PF01268	Formate--tetrahydrofolate ligase
4	558	InterPro	IPR000559	Formate-tetrahydrofolate ligase, FTHFS
130	248	FunFam	G3DSA:3.30.1510.10:FF:000001	Formate--tetrahydrofolate ligase
3	558	Hamap	MF_01543	Formate--tetrahydrofolate ligase [fhs].
3	558	InterPro	IPR000559	Formate-tetrahydrofolate ligase, FTHFS
104	114	ProSitePatterns	PS00721	Formate--tetrahydrofolate ligase signature 1.
104	114	InterPro	IPR020628	Formate-tetrahydrofolate ligase, FTHFS, conserved site
6	556	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
6	556	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
530	558	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
18	557	CDD	cd00477	FTHFS
18	557	InterPro	IPR000559	Formate-tetrahydrofolate ligase, FTHFS
510	529	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.

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 + 1

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

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold HT085_RS00315	AlphaFold	—	—	full sequence	—	Viewing

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
11				0.438
4				0.343
2				0.318

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	23.62	0.843
2	7.11	0.309
3	1.71	0.025
4	1.39	0.014

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.

61 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
21V	6ECP	P11586	443.5 Da LogP 0.62 TPSA 187.5	1 viol.	✓ Clean	`c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C…`
FLC	7C11	B7L0A5	189.1 Da LogP -5.25 TPSA 140.6	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O`
FOL	4IOM	Q2RM91	441.4 Da LogP -0.04 TPSA 213.3	1 viol.	✓ Clean	`c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c…`
L37	1DIG	P11586	433.4 Da LogP 0.04 TPSA 242.9	1 viol.	✓ Clean	`c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2…`
TAR	5A4J	K7SWE7	150.1 Da LogP -2.12 TPSA 115.1	✓ Ro5	✓ Clean	`[C@H]([C@@H](C(=O)O)O)(C(=O)O)O`
TLA	7C11	B7L0A5	150.1 Da LogP -2.12 TPSA 115.1	✓ Ro5	✓ Clean	`[C@@H]([C@H](C(=O)O)O)(C(=O)O)O`
TOE	4IOJ	Q2RM91	164.2 Da LogP -0.34 TPSA 47.9	✓ Ro5	✓ Clean	`COCCOCCOCCO`
XPO	4IOK	Q2RM91	126.0 Da LogP -0.75 TPSA 83.8	✓ Ro5	✓ Clean	`C(=O)OP(=O)(O)O`
ZD9	4IOL	Q2RM91	241.3 Da LogP 1.61 TPSA 57.8	✓ Ro5	✓ Clean	`CC#CNCc1cc2c(cc1C)N=C(NC2=O)C`

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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
L34	P11586	7.02	471.4 Da LogP 0.05 TPSA 211.3	1 viol.	✓ Clean	`c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3…`
CHEMBL4463968	P11586	6.24	608.6 Da LogP 3.71 TPSA 112.4	1 viol.	✓ Clean	`Cc1c(N2CCN(C)[C@@H](C)C2)ccc2c3c(c(=O)oc12)CN(C…`

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
ZINC1580161	1.000	208.3 Da LogP -0.33 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCO`
ZINC16052118	1.000	340.4 Da LogP -0.28 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCO`
ZINC16052257	1.000	384.5 Da LogP -0.26 TPSA 94.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC34317654	1.000	472.6 Da LogP -0.23 TPSA 112.5	1 viol.	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC44076059	1.000	428.5 Da LogP -0.24 TPSA 103.3	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5210101	1.000	252.3 Da LogP -0.31 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCO`
ZINC5997860	1.000	296.4 Da LogP -0.29 TPSA 75.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCO`
ZINC142478298	0.855	455.4 Da LogP 0.04 TPSA 202.3	✓ Ro5	✓ Clean	`COC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(NCc2cnc3[nH]c…`
ZINC8626487	0.839	455.4 Da LogP -0.00 TPSA 213.3	1 viol.	✓ Clean	`Nc1nc(=O)c2nc(CCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(…`
ZINC199894078	0.781	469.4 Da LogP -0.62 TPSA 230.3	1 viol.	✓ Clean	`Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](C[C@@H](C=O)…`
ZINC199894106	0.781	469.4 Da LogP -0.62 TPSA 230.3	1 viol.	✓ Clean	`Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@H](C[C@@H](C=O)C…`
ZINC199894133	0.781	469.4 Da LogP -0.62 TPSA 230.3	1 viol.	✓ Clean	`Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](C[C@H](C=O)C…`
ZINC199894162	0.781	469.4 Da LogP -0.62 TPSA 230.3	1 viol.	✓ Clean	`Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@H](C[C@H](C=O)C(…`
ZINC4261891	0.766	441.4 Da LogP -0.04 TPSA 213.3	1 viol.	✓ Clean	`Nc1nc2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c…`
ZINC1698171	0.762	442.4 Da LogP -0.33 TPSA 207.2	1 viol.	✓ Clean	`O=C(O)CC[C@H](NC(=O)c1ccc(NCc2cnc3[nH]c(=O)[nH]…`
ZINC575419714	0.727	312.4 Da LogP 0.42 TPSA 66.4	✓ Ro5	✓ Clean	`COCCOCCOCCSCCOCCOCCO`
ZINC2034997	0.723	441.4 Da LogP -0.04 TPSA 213.3	1 viol.	✓ Clean	`Nc1nc(=O)c2nc(NCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O…`
ZINC17421394	0.708	442.4 Da LogP 0.08 TPSA 207.5	1 viol.	✓ Clean	`O=C(O)CC[C@@H](NC(=O)c1ccc(NCc2cnc3nc(O)[nH]c(=…`
ZINC115163232	0.700	222.3 Da LogP 0.07 TPSA 57.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCCO`
ZINC258837490	0.700	354.4 Da LogP 0.11 TPSA 84.8	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCCO`
ZINC1567048	0.697	440.4 Da LogP 0.56 TPSA 200.4	1 viol.	✓ Clean	`Nc1nc2ccc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)…`
ZINC5385480	0.696	469.4 Da LogP -0.49 TPSA 221.6	✓ Ro5	✓ Clean	`Nc1nc(=O)c2nc(CN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)…`
ZINC12359024	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC13533920	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC1532740	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC1549593	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC1587572	0.692	440.4 Da LogP 0.24 TPSA 219.3	1 viol.	✓ Clean	`Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)…`
ZINC2013424	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O`
ZINC2036915	0.692	440.4 Da LogP 0.24 TPSA 219.3	1 viol.	✓ Clean	`Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O…`
ZINC3581021	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC3860635	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O`
ZINC5783661	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O`
ZINC6072527	0.692	210.1 Da LogP -3.40 TPSA 155.5	1 viol.	✓ Clean	`O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O`
ZINC12501520	0.688	458.5 Da LogP -0.88 TPSA 123.5	1 viol.	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC1692489	0.688	222.3 Da LogP 0.33 TPSA 46.2	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOC`
ZINC3874716	0.688	414.5 Da LogP -0.90 TPSA 114.3	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC4283769	0.688	238.3 Da LogP -0.96 TPSA 77.4	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCO`
ZINC4521548	0.688	282.3 Da LogP -0.95 TPSA 86.6	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCO`
ZINC4530388	0.688	266.3 Da LogP 0.35 TPSA 55.4	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOC`
ZINC5178829	0.688	326.4 Da LogP -0.93 TPSA 95.8	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCO`
ZINC5178830	0.688	370.4 Da LogP -0.91 TPSA 105.1	✓ Ro5	✓ Clean	`OCCOCCOCCOCCOCCOCCOCCOCCO`
ZINC5701172	0.688	310.4 Da LogP 0.36 TPSA 64.6	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOC`
ZINC5997861	0.688	398.5 Da LogP 0.40 TPSA 83.1	✓ Ro5	✓ Clean	`COCCOCCOCCOCCOCCOCCOCCOCCOC`
ZINC8577218	0.682	441.4 Da LogP 0.37 TPSA 213.5	1 viol.	✓ Clean	`Nc1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O…`
ZINC8585850	0.682	441.4 Da LogP 0.37 TPSA 213.5	1 viol.	✓ Clean	`Nc1nc(O)c2nc(CNc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)…`
ZINC33753214	0.671	455.4 Da LogP 0.04 TPSA 202.3	✓ Ro5	✓ Clean	`COC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=…`
ZINC575432150	0.667	344.4 Da LogP -0.89 TPSA 100.5	✓ Ro5	✓ Clean	`COCCOCCOCCS(=O)(=O)CCOCCOCCO`
ZINC1857524240	0.652	207.3 Da LogP -0.75 TPSA 60.0	✓ Ro5	✓ Clean	`COCCNCCOCCOCCO`
ZINC17380277	0.648	469.5 Da LogP 0.39 TPSA 213.3	1 viol.	✓ Clean	`Nc1nc2ncc(CCCNc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O…`
ZINC4826295	0.648	469.5 Da LogP 0.39 TPSA 213.3	1 viol.	✓ Clean	`Nc1nc2ncc(CCCNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=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.