Amino acids
403
Annotations
10
Features
22
PDB binders
17
Druggability
0.327
Overview
Basic information about this protein and its source genome.
- Accession
- PA3107
- Gene
- metZ PA3107
- Status
- annotated
- Amino acids
- 403
- Structure source
- AlphaFold
EC
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0016846 Catalysis of the elimination of hydrogen sulfide or substituted H2S.
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:0016765 Catalysis of the transfer of an alkyl or aryl (but not methyl) group from one compound (donor) to another (acceptor).
GO:0071266 The chemical reactions and pathways resulting in the formation of L-methionine, the L-enantiomer of (2S)-2-amino-4-(methylsulfanyl)butanoic acid, from simpler components such as L-aspartate or L-homoserine. This process occurs in plants, bacteria, archae and fungi.
GO:0071268 OBSOLETE. The chemical reactions and pathways resulting in the formation of homocysteine, 2-amino-4-sulfanylbutanoic acid.
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 36.119
- Human E-value
- 9.76e-75
- 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
0.327
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
1 EC
9 GO
Enzyme Commission (EC)
1Gene Ontology (GO)
9- GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
- GO:0016846 Catalysis of the elimination of hydrogen sulfide or substituted H2S.
- 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:0016765 Catalysis of the transfer of an alkyl or aryl (but not methyl) group from one compound (donor) to another (acceptor).
- GO:0071266 The chemical reactions and pathways resulting in the formation of L-methionine, the L-enantiomer of (2S)-2-amino-4-(methylsulfanyl)butanoic acid, from simpler components such as L-aspartate or L-homoserine. This process occurs in plants, bacteria, archae and fungi.
- GO:0071268 OBSOLETE. The chemical reactions and pathways resulting in the formation of homocysteine, 2-amino-4-sulfanylbutanoic acid.
- GO:0009086 OBSOLETE. The chemical reactions and pathways resulting in the de novo formation of L-methionine (2-amino-4-(methylthio)butanoic acid), a sulfur-containing, essential amino acid found in peptide linkage in proteins.
- GO:0019346 The interconversion of homocysteine and cysteine via cystathionine. In contrast with enteric bacteria and mammals, Saccharomyces cerevisiae has two transsulfuration pathways employing two separate sets of enzymes.
- 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.
Sequence Features
Domain/signature hits from InterPro and related databases.
22 records
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 21 | 401 | Hamap | MF_02056 | O-succinylhomoserine sulfhydrylase [metZ]. |
| 21 | 401 | InterPro | IPR006234 | O-succinylhomoserine sulfhydrylase |
| 20 | 400 | NCBIfam | TIGR01325 | O-succinylhomoserine sulfhydrylase |
| 20 | 400 | InterPro | IPR006234 | O-succinylhomoserine sulfhydrylase |
| 40 | 401 | CDD | cd00614 | CGS_like |
| 40 | 401 | InterPro | IPR000277 | Cys/Met metabolism, pyridoxal phosphate-dependent enzyme |
| 17 | 266 | FunFam | G3DSA:3.40.640.10:FF:000035 | O-succinylhomoserine sulfhydrylase |
| 41 | 401 | SUPERFAMILY | SSF53383 | PLP-dependent transferases |
| 41 | 401 | InterPro | IPR015424 | Pyridoxal phosphate-dependent transferase |
| 211 | 225 | ProSitePatterns | PS00868 | Cys/Met metabolism enzymes pyridoxal-phosphate attachment site. |
| 211 | 225 | InterPro | IPR000277 | Cys/Met metabolism, pyridoxal phosphate-dependent enzyme |
| 269 | 403 | FunFam | G3DSA:3.90.1150.10:FF:000033 | Cystathionine gamma-synthase |
| 19 | 402 | PANTHER | PTHR11808 | TRANS-SULFURATION ENZYME FAMILY MEMBER |
| 19 | 402 | InterPro | IPR000277 | Cys/Met metabolism, pyridoxal phosphate-dependent enzyme |
| 270 | 403 | Gene3D | G3DSA:3.90.1150.10 | Aspartate Aminotransferase, domain 1 |
| 270 | 403 | InterPro | IPR015422 | Pyridoxal phosphate-dependent transferase, small domain |
| 16 | 266 | Gene3D | G3DSA:3.40.640.10 | - |
| 16 | 266 | InterPro | IPR015421 | Pyridoxal phosphate-dependent transferase, major domain |
| 20 | 400 | Pfam | PF01053 | Cys/Met metabolism PLP-dependent enzyme |
| 20 | 400 | InterPro | IPR000277 | Cys/Met metabolism, pyridoxal phosphate-dependent enzyme |
| 7 | 403 | PIRSF | PIRSF001434 | CGS |
| 7 | 403 | InterPro | IPR000277 | Cys/Met metabolism, pyridoxal phosphate-dependent enzyme |
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 + 1Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
PA3107
|
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 |
|---|---|---|---|---|---|---|---|
| 1 | 0.327 |
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.
67 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 |
|---|---|---|---|---|---|---|
| 0JO | Q5H4T8 | 316.2 Da LogP 0.72 TPSA 149.5 | ✓ Ro5 | ✓ Clean |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O
|
|
| 3LM | P13254 | 378.3 Da LogP 1.13 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O
|
|
| 4LM | P13254 | 330.2 Da LogP 1.11 TPSA 149.5 | ✓ Ro5 | ✓ Clean |
C/C=C(\C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O
|
|
| 7XF | P13254 | 366.3 Da LogP 0.57 TPSA 149.2 | 1 viol. | ✓ Clean |
Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O
|
|
| ECX | Q84AR1 | 149.2 Da LogP 0.15 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCSC[C@@H](C(=O)O)N
|
|
| H2S | P13254 | 34.1 Da LogP 0.11 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
S
|
|
| HCS | P13254 | 135.2 Da LogP -0.28 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
C(CS)[C@@H](C(=O)O)N
|
|
| KOU | Q5H4T8 | 334.2 Da LogP -0.43 TPSA 169.8 | ✓ Ro5 | ✓ Clean |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O
|
|
| LCS | Q84AR1 | 331.2 Da LogP -0.29 TPSA 150.6 | ✓ Ro5 | ✓ Clean |
Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O
|
|
| MPJ | Q84AR1 | 169.2 Da LogP 0.49 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CSCC[C@H](N)[P@H](=O)O
|
|
| NAK | Q5H4T8 | 87.1 Da LogP -3.04 TPSA 65.7 | ✓ Ro5 | ✓ Clean |
CC(=[NH2+])C(=O)[O-]
|
|
| NLE | A0A0A5P8W7 | 131.2 Da LogP 0.59 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCC[C@@H](C(=O)O)N
|
|
| PLG | Q84AR1 | 306.2 Da LogP -0.12 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O
|
|
| PPJ | A2FEV4 | 362.3 Da LogP 0.35 TPSA 169.8 | ✓ Ro5 | ✓ Clean |
Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C)O…
|
|
| PY6 | A0A0A5P8W7 | 362.3 Da LogP 1.44 TPSA 149.2 | ✓ Ro5 | ✓ Clean |
CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
|
|
| PYR | Q5H4T8 | 88.1 Da LogP -0.34 TPSA 54.4 | ✓ Ro5 | ✓ Clean |
CC(=O)C(=O)O
|
|
| PZP | Q84AR1 | 246.2 Da LogP 0.70 TPSA 123.7 | ✓ Ro5 | ✓ Clean |
[H]/N=C/c1c(cnc(c1O)C)COP(=O)(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 |
|---|---|---|---|---|---|
| ZINC1570993 | 0.826 | 215.3 Da LogP 2.93 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[C@H](N)C(=O)O
|
| ZINC1570999 | 0.826 | 229.4 Da LogP 3.32 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[C@H](N)C(=O)O
|
| ZINC1620974 | 0.826 | 243.4 Da LogP 3.71 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[C@H](N)C(=O)O
|
| ZINC1742220 | 0.826 | 201.3 Da LogP 2.54 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC[C@H](N)C(=O)O
|
| ZINC2035155 | 0.826 | 215.3 Da LogP 2.93 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCC[C@@H](N)C(=O)O
|
| ZINC2035157 | 0.826 | 201.3 Da LogP 2.54 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCC[C@@H](N)C(=O)O
|
| ZINC2037129 | 0.826 | 243.4 Da LogP 3.71 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCC[C@@H](N)C(=O)O
|
| ZINC43531622 | 0.826 | 271.4 Da LogP 4.49 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC[C@H](N)C(=O)O
|
| ZINC43531626 | 0.826 | 271.4 Da LogP 4.49 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCC[C@@H](N)C(=O)O
|
| ZINC8437446 | 0.826 | 229.4 Da LogP 3.32 TPSA 63.3 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCC[C@@H](N)C(=O)O
|
| ZINC1532514 | 0.756 | 247.1 Da LogP 0.52 TPSA 117.0 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(C=O)c1O
|
| ZINC1730666 | 0.714 | 208.2 Da LogP -1.46 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1730667 | 0.714 | 208.2 Da LogP -1.46 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1730669 | 0.714 | 208.2 Da LogP -1.46 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3055005 | 0.714 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC3055007 | 0.714 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC3055010 | 0.714 | 204.2 Da LogP -0.63 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555366 | 0.682 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1555367 | 0.682 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1555369 | 0.682 | 232.3 Da LogP 0.15 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720127 | 0.682 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1720128 | 0.682 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1720130 | 0.682 | 218.3 Da LogP -0.24 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CCCCC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1532708 | 0.674 | 248.2 Da LogP 0.16 TPSA 125.9 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(CN)c1O
|
| ZINC12649087 | 0.667 | 203.2 Da LogP 0.68 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
CCCC[C@@H](C[C@H](N)C(=O)O)C(=O)O
|
| ZINC12649093 | 0.667 | 203.2 Da LogP 0.68 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
CCCC[C@H](C[C@@H](N)C(=O)O)C(=O)O
|
| ZINC13677532 | 0.667 | 203.2 Da LogP 0.68 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
CCCC[C@H](C[C@H](N)C(=O)O)C(=O)O
|
| ZINC32098815 | 0.667 | 203.2 Da LogP 0.68 TPSA 100.6 | ✓ Ro5 | ✓ Clean |
CCCC[C@@H](C[C@@H](N)C(=O)O)C(=O)O
|
| ZINC12405097 | 0.655 | 222.3 Da LogP 0.64 TPSA 104.2 | ✓ Ro5 | ✓ Clean |
CCCC[S@@](=N)(=O)CC[C@H](N)C(=O)O
|
| ZINC12405142 | 0.655 | 222.3 Da LogP 0.64 TPSA 104.2 | ✓ Ro5 | ✓ Clean |
CCCC[S@](=N)(=O)CC[C@@H](N)C(=O)O
|
| ZINC1529986 | 0.655 | 222.3 Da LogP 0.64 TPSA 104.2 | ✓ Ro5 | ✓ Clean |
CCCC[S@](=N)(=O)CC[C@H](N)C(=O)O
|
| ZINC1529987 | 0.655 | 222.3 Da LogP 0.64 TPSA 104.2 | ✓ Ro5 | ✓ Clean |
CCCC[S@@](=N)(=O)CC[C@@H](N)C(=O)O
|
| ZINC1531043 | 0.652 | 254.3 Da LogP -0.77 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CSCSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1532705 | 0.652 | 249.2 Da LogP 0.20 TPSA 120.1 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(CO)c1O
|
| ZINC1702537 | 0.652 | 254.3 Da LogP -0.77 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSCSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1702539 | 0.652 | 254.3 Da LogP -0.77 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSCSC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1763727 | 0.652 | 268.4 Da LogP -0.72 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CSCCSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1763729 | 0.652 | 268.4 Da LogP -0.72 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSCCSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1763734 | 0.652 | 268.4 Da LogP -0.72 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSCCSC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC1607787 | 0.643 | 223.3 Da LogP 0.00 TPSA 97.5 | ✓ Ro5 | ✓ Clean |
CCCCS(=O)(=O)CC[C@@H](N)C(=O)O
|
| ZINC1656021 | 0.643 | 233.2 Da LogP 1.01 TPSA 99.9 | ✓ Ro5 | ✓ Clean |
Cc1ncc(COP(=O)(O)O)c(C)c1O
|
| ZINC5784111 | 0.643 | 223.3 Da LogP 0.00 TPSA 97.5 | ✓ Ro5 | ✓ Clean |
CCCCS(=O)(=O)CC[C@H](N)C(=O)O
|
| ZINC27644247 | 0.633 | 230.3 Da LogP 0.09 TPSA 111.2 | ✓ Ro5 | ✓ Clean |
CCCCNC(=N)NCCC[C@H](N)C(=O)O
|
| ZINC1593487 | 0.625 | 328.5 Da LogP 0.01 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@@H](CSCCSCCSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC1593490 | 0.625 | 328.5 Da LogP 0.01 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSCCSCCSC[C@@H](N)C(=O)O)C(=O)O
|
| ZINC17156063 | 0.625 | 328.5 Da LogP 0.01 TPSA 126.6 | ✓ Ro5 | ✓ Clean |
N[C@H](CSCCSCCSC[C@H](N)C(=O)O)C(=O)O
|
| ZINC5759012 | 0.621 | 207.3 Da LogP 0.34 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
CCCC[S@@](=O)CC[C@H](N)C(=O)O
|
| ZINC5759013 | 0.621 | 207.3 Da LogP 0.34 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
CCCC[S@](=O)CC[C@H](N)C(=O)O
|
| ZINC5759014 | 0.621 | 207.3 Da LogP 0.34 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
CCCC[S@@](=O)CC[C@@H](N)C(=O)O
|
| ZINC5759015 | 0.621 | 207.3 Da LogP 0.34 TPSA 80.4 | ✓ Ro5 | ✓ Clean |
CCCC[S@](=O)CC[C@@H](N)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.