Protein profile

HT085_RS00200

glutamate-1-semialdehyde 2,1-aminomutase

Genome: NZ_AP023069.1

Gene: N776_09140 TUM19854C_00330 ESCNG_30012 NGO_0040 E8M63_03335 hemL Structure source: AlphaFold

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Amino acids 426

Annotations 6

Features 18

PDB binders 6

Overview

Basic information about this protein and its source genome.

Accession: HT085_RS00200
Assembly: Neisseria gonorrhoeae strain TUM19854 chromosome, complete genome
Gene: N776_09140 TUM19854C_00330 ESCNG_30012 NGO_0040 E8M63_03335 hemL
Status: annotated
Amino acids: 426
Structure source: AlphaFold

5.4.3.8

GO:0008483 Catalysis of the transfer of an amino group to an acceptor, usually a 2-oxo acid. GO:0030170 Binding to pyridoxal 5' phosphate, 3-hydroxy-5-(hydroxymethyl)-2-methyl4-pyridine carboxaldehyde 5' phosphate, the biologically active form of vitamin B6. GO:0042286 Catalysis of the reaction: (S)-4-amino-5-oxopentanoate = 5-aminolevulinate. GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0006782 The chemical reactions and pathways resulting in the formation of protoporphyrinogen IX.

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 Medium

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Enzyme Commission (EC)

5.4.3.8

Gene Ontology (GO)

GO:0008483 Catalysis of the transfer of an amino group to an acceptor, usually a 2-oxo acid.
GO:0030170 Binding to pyridoxal 5' phosphate, 3-hydroxy-5-(hydroxymethyl)-2-methyl4-pyridine carboxaldehyde 5' phosphate, the biologically active form of vitamin B6.
GO:0042286 Catalysis of the reaction: (S)-4-amino-5-oxopentanoate = 5-aminolevulinate.
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0006782 The chemical reactions and pathways resulting in the formation of protoporphyrinogen IX.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records

Show feature table

Start	End	DB	Term	Name
5	423	NCBIfam	TIGR00713	glutamate-1-semialdehyde 2,1-aminomutase
5	423	InterPro	IPR004639	Tetrapyrrole biosynthesis, glutamate-1-semialdehyde aminotransferase
7	421	CDD	cd00610	OAT_like
7	421	InterPro	IPR005814	Aminotransferase class-III
69	317	FunFam	G3DSA:3.40.640.10:FF:000021	Glutamate-1-semialdehyde 2,1-aminomutase
2	423	PANTHER	PTHR43713	GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE
32	394	Pfam	PF00202	Aminotransferase class-III
32	394	InterPro	IPR005814	Aminotransferase class-III
69	317	Gene3D	G3DSA:3.40.640.10	-
69	317	InterPro	IPR015421	Pyridoxal phosphate-dependent transferase, major domain
234	270	ProSitePatterns	PS00600	Aminotransferases class-III pyridoxal-phosphate attachment site.
234	270	InterPro	IPR005814	Aminotransferase class-III
2	423	SUPERFAMILY	SSF53383	PLP-dependent transferases
2	423	InterPro	IPR015424	Pyridoxal phosphate-dependent transferase
7	416	Gene3D	G3DSA:3.90.1150.10	Aspartate Aminotransferase, domain 1
7	416	InterPro	IPR015422	Pyridoxal phosphate-dependent transferase, small domain
3	424	Hamap	MF_00375	Glutamate-1-semialdehyde 2,1-aminomutase [hemL].
3	424	InterPro	IPR004639	Tetrapyrrole biosynthesis, glutamate-1-semialdehyde aminotransferase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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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_RS00200	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
2				0.566
1				0.369

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	15.07	0.662
2	14.71	0.649
3	6.41	0.27
4	2.25	0.045
5	1.98	0.035

Ligand evidence

Ligands grouped by evidence source — prioritize those reported for this exact protein.

56 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein in the Protein Data Bank.

No PDB structure with a co-crystallized ligand found for this exact protein.

Structural evidence inferred from similar proteins. The UniProt column identifies the protein that carried the ligand in PDB.

Ligand	PDB structure	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
EA5	2hp1	P24630	363.3 Da LogP -0.01 TPSA 175.2	1 viol.	✓ Clean	`Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H](CCC(=O)O)N)O`
GAB	3gsb	P24630	137.1 Da LogP 0.97 TPSA 63.3	✓ Ro5	✓ Clean	`c1cc(cc(c1)N)C(=O)O`
HOZ	2hoz	P24630	132.2 Da LogP -0.86 TPSA 89.3	✓ Ro5	✓ Clean	`C(CC(=O)O)[C@@H](CN)N`
KE4	2hp2	P24630	363.3 Da LogP -0.01 TPSA 175.2	1 viol.	✓ Clean	`Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)CN)O`
PLR	3usf	Q31QJ2	233.2 Da LogP 1.01 TPSA 99.9	✓ Ro5	✓ Clean	`Cc1c(cnc(c1O)C)COP(=O)(O)O`
PMP	2gsa	P24630	248.2 Da LogP 0.16 TPSA 125.9	✓ Ro5	✓ Clean	`Cc1c(c(c(cn1)COP(=O)(O)O)CN)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
ZINC1532708	1.000	248.2 Da LogP 0.16 TPSA 125.9	✓ Ro5	✓ Clean	`Cc1ncc(COP(=O)(O)O)c(CN)c1O`
ZINC1532705	0.769	249.2 Da LogP 0.20 TPSA 120.1	✓ Ro5	✓ Clean	`Cc1ncc(COP(=O)(O)O)c(CO)c1O`
ZINC4245535	0.769	213.2 Da LogP 2.63 TPSA 63.3	✓ Ro5	✓ Clean	`Nc1cccc(-c2cccc(C(=O)O)c2)c1`
ZINC156685	0.708	212.3 Da LogP 2.08 TPSA 69.1	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)c2cccc(N)c2)c1`
ZINC1656021	0.692	233.2 Da LogP 1.01 TPSA 99.9	✓ Ro5	✓ Clean	`Cc1ncc(COP(=O)(O)O)c(C)c1O`
ZINC12505568	0.690	237.3 Da LogP 2.37 TPSA 63.3	✓ Ro5	✓ Clean	`Nc1cccc(C#Cc2cccc(C(=O)O)c2)c1`
ZINC34402619	0.690	229.2 Da LogP 2.76 TPSA 72.5	✓ Ro5	✓ Clean	`Nc1cccc(Oc2cccc(C(=O)O)c2)c1`
ZINC486232	0.677	256.3 Da LogP 2.22 TPSA 92.4	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1`
ZINC521400454	0.667	277.3 Da LogP 1.80 TPSA 97.5	✓ Ro5	✓ Clean	`Nc1cccc(S(=O)(=O)c2cccc(C(=O)O)c2)c1`
ZINC1532514	0.643	247.1 Da LogP 0.52 TPSA 117.0	✓ Ro5	✓ Clean	`Cc1ncc(COP(=O)(O)O)c(C=O)c1O`
ZINC1669765	0.633	241.2 Da LogP 2.20 TPSA 80.4	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)c2ccccc2C(=O)O)c1`
ZINC4688104	0.625	256.3 Da LogP 2.22 TPSA 92.4	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1`
ZINC2522309	0.621	213.2 Da LogP 2.63 TPSA 63.3	✓ Ro5	✓ Clean	`Nc1ccc(-c2cccc(C(=O)O)c2)cc1`
ZINC2574116	0.621	213.2 Da LogP 2.63 TPSA 63.3	✓ Ro5	✓ Clean	`Nc1cccc(-c2ccc(C(=O)O)cc2)c1`
ZINC207916	0.600	270.2 Da LogP 2.31 TPSA 91.7	✓ Ro5	✓ Clean	`O=C(O)c1cccc(C(=O)c2cccc(C(=O)O)c2)c1`
ZINC3897007	0.600	242.2 Da LogP 2.75 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)c1cccc(-c2cccc(C(=O)O)c2)c1`
ZINC1569727	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC1569728	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)O`
ZINC1569729	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC1569730	0.593	202.3 Da LogP -0.05 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](C)C(=O)O`
ZINC2522597	0.586	246.3 Da LogP -0.60 TPSA 129.7	✓ Ro5	✓ Clean	`CC(C)C[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O`
ZINC141320641	0.581	203.2 Da LogP 2.40 TPSA 43.1	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)CC(F)(F)F)c1`
ZINC291001	0.581	212.3 Da LogP 2.52 TPSA 55.1	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)Nc2ccccc2)c1`
ZINC71456252	0.581	273.3 Da LogP 4.17 TPSA 43.1	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)c2ccc(-c3ccccc3)cc2)c1`
ZINC1532219	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)O`
ZINC1532220	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)O`
ZINC1532221	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(=O)O`
ZINC1532222	0.571	244.3 Da LogP 0.98 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(=O)O`
ZINC241850	0.567	348.4 Da LogP 3.29 TPSA 104.6	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(N)c3)cc2)c1`
ZINC619156	0.567	346.4 Da LogP 3.36 TPSA 110.2	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(N)c3)cc2)c1`
ZINC190579	0.563	204.3 Da LogP 1.89 TPSA 46.3	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)N2CCCCC2)c1`
ZINC7468685	0.563	218.3 Da LogP 2.29 TPSA 46.3	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)N2CCCCCC2)c1`
ZINC90600614	0.563	229.2 Da LogP 2.76 TPSA 72.5	✓ Ro5	✓ Clean	`Nc1cccc(Oc2ccc(C(=O)O)cc2)c1`
ZINC95215251	0.563	229.2 Da LogP 2.76 TPSA 72.5	✓ Ro5	Alert	`Nc1ccc(Oc2cccc(C(=O)O)c2)cc1`
ZINC167226	0.556	248.0 Da LogP 1.99 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cccc(I)c1`
ZINC404749	0.556	201.0 Da LogP 2.15 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1cccc(Br)c1`
ZINC409186	0.556	226.2 Da LogP 2.62 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1cccc(C(=O)c2ccccc2)c1`
ZINC1600851	0.552	202.1 Da LogP 0.19 TPSA 94.8	✓ Ro5	✓ Clean	`O=C(O)c1cccc(P(=O)(O)O)c1`
ZINC1605717	0.552	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC1605718	0.552	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@H](C(=O)O)C(C)C`
ZINC1605719	0.552	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@H](N)C(=O)N[C@@H](C(=O)O)C(C)C`
ZINC1605720	0.552	230.3 Da LogP 0.59 TPSA 92.4	✓ Ro5	✓ Clean	`CC(C)C[C@@H](N)C(=O)N[C@@H](C(=O)O)C(C)C`
ZINC65339755	0.552	241.2 Da LogP 2.15 TPSA 80.4	✓ Ro5	✓ Clean	`NC(=O)c1cccc(-c2cccc(C(=O)O)c2)c1`
ZINC188631	0.548	227.3 Da LogP 2.10 TPSA 81.1	✓ Ro5	✓ Clean	`Nc1cccc(NC(=O)c2cccc(N)c2)c1`
ZINC32012507	0.548	211.3 Da LogP 2.81 TPSA 43.1	✓ Ro5	✓ Clean	`Cc1ccc(C(=O)c2cccc(N)c2)cc1`
ZINC32013043	0.548	215.2 Da LogP 2.64 TPSA 43.1	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)c2ccc(F)cc2)c1`
ZINC32016122	0.548	231.7 Da LogP 3.15 TPSA 43.1	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)c2ccc(Cl)cc2)c1`
ZINC32122261	0.548	276.1 Da LogP 3.26 TPSA 43.1	✓ Ro5	✓ Clean	`Nc1cccc(C(=O)c2ccc(Br)cc2)c1`
ZINC75835494	0.548	212.3 Da LogP 2.08 TPSA 69.1	✓ Ro5	Alert	`Nc1cccc(C(=O)c2ccccc2N)c1`
ZINC96518468	0.545	371.1 Da LogP 1.94 TPSA 77.2	✓ Ro5	✓ Clean	`CS(=O)(=O)C(Br)(Br)C(=O)c1cccc(N)c1`

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.