Protein profile
PA5035
glutamate synthase subunit beta
Genome: NC_002516.2
Overview
Basic information about this protein and its source genome.
- Accession
- PA5035
- Gene
- gltD GNQ48_04105 CAZ10_01280 GUL26_08210 IPC1295_08150 L4V69_34465 PA5035 PAERUG_P19_London_7_VIM_2_05_10_03095 gltD_2
- Status
- annotated
- Amino acids
- 477
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- hit
- Human identity (%)
- 31.21
- Human E-value
- 2.11e-12
- 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.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
4- GO:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands.
- GO:0046872 Binding to a metal ion.
- GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
- GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 261 | 405 | FunFam | G3DSA:3.50.50.60:FF:000041 | Glutamate synthase, small subunit |
| 325 | 345 | Coils | Coil | Coil |
| 45 | 77 | ProSiteProfiles | PS51379 | 4Fe-4S ferredoxin-type iron-sulfur binding domain profile. |
| 45 | 77 | InterPro | IPR017896 | 4Fe-4S ferredoxin-type, iron-sulphur binding domain |
| 12 | 476 | PANTHER | PTHR42783 | GLUTAMATE SYNTHASE [NADPH] SMALL CHAIN |
| 15 | 152 | Gene3D | G3DSA:1.10.1060.10 | - |
| 15 | 152 | InterPro | IPR009051 | Alpha-helical ferredoxin |
| 15 | 165 | SUPERFAMILY | SSF46548 | alpha-helical ferredoxin |
| 33 | 142 | Pfam | PF14691 | Dihydroprymidine dehydrogenase domain II, 4Fe-4S cluster |
| 33 | 142 | InterPro | IPR028261 | Dihydroprymidine dehydrogenase domain II |
| 17 | 153 | FunFam | G3DSA:1.10.1060.10:FF:000004 | Glutamate synthase, small subunit |
| 156 | 464 | Pfam | PF07992 | Pyridine nucleotide-disulphide oxidoreductase |
| 156 | 464 | InterPro | IPR023753 | FAD/NAD(P)-binding domain |
| 153 | 260 | Gene3D | G3DSA:3.40.50.720 | - |
| 153 | 406 | SUPERFAMILY | SSF51971 | Nucleotide-binding domain |
| 261 | 405 | Gene3D | G3DSA:3.50.50.60 | - |
| 261 | 405 | InterPro | IPR036188 | FAD/NAD(P)-binding domain superfamily |
| 297 | 311 | PRINTS | PR00419 | Adrenodoxin reductase family signature |
| 156 | 178 | PRINTS | PR00419 | Adrenodoxin reductase family signature |
| 331 | 344 | PRINTS | PR00419 | Adrenodoxin reductase family signature |
| 179 | 192 | PRINTS | PR00419 | Adrenodoxin reductase family signature |
| 221 | 231 | PRINTS | PR00419 | Adrenodoxin reductase family signature |
| 14 | 477 | NCBIfam | TIGR01318 | glutamate synthase, small subunit |
| 14 | 477 | InterPro | IPR006006 | Glutamate synthase NADPH small chain-like |
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...
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
PA5035
|
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 | 0.38 |
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.
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 |
|---|---|---|---|---|---|---|
| AKG | Q05756 | 146.1 Da LogP -0.50 TPSA 91.7 | ✓ Ro5 | ✓ Clean |
C(CC(=O)O)C(=O)C(=O)O
|
|
| F3S | Q05756 | 295.8 Da LogP 2.59 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
S1[Fe]2S[Fe]3[S]2[Fe]1S3
|
|
| FES | I6V148 | 175.8 Da LogP 1.29 TPSA 0.0 | ✓ Ro5 | ✓ Clean |
S1[Fe]S[Fe]1
|
|
| ODP | P9WIQ3 | 760.4 Da LogP -3.88 TPSA 381.0 | 3 viol. | ✓ Clean |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…
|
|
| OMT | Q05756 | 181.2 Da LogP -1.17 TPSA 97.5 | ✓ Ro5 | ✓ Clean |
CS(=O)(=O)CC[C@@H](C(=O)O)N
|
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 |
|---|---|---|---|---|---|
| ZINC238950253 | 0.667 | 744.4 Da LogP -2.90 TPSA 364.8 | 3 viol. | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@](=O)(O)O[P@…
|
| ZINC238950256 | 0.667 | 744.4 Da LogP -2.90 TPSA 364.8 | 3 viol. | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@](=O)(O)O[P@…
|
| ZINC238950259 | 0.667 | 744.4 Da LogP -2.90 TPSA 364.8 | 3 viol. | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@](=O)(O)O[P@…
|
| ZINC238950261 | 0.667 | 744.4 Da LogP -2.90 TPSA 364.8 | 3 viol. | ✓ Clean |
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO[P@](=O)(O)O[P@…
|
| ZINC3871401 | 0.628 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3871402 | 0.628 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC3871403 | 0.628 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3871404 | 0.628 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC4096223 | 0.628 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC19429847 | 0.607 | 208.3 Da LogP -1.16 TPSA 80.5 | ✓ Ro5 | ✓ Clean |
CN(C)C(=O)[C@@H](N)CCS(C)(=O)=O
|
| ZINC19429848 | 0.607 | 208.3 Da LogP -1.16 TPSA 80.5 | ✓ Ro5 | ✓ Clean |
CN(C)C(=O)[C@H](N)CCS(C)(=O)=O
|
| ZINC26513844 | 0.607 | 209.3 Da LogP -0.69 TPSA 86.5 | ✓ Ro5 | ✓ Clean |
CCOC(=O)[C@@H](N)CCS(C)(=O)=O
|
| ZINC26513846 | 0.607 | 209.3 Da LogP -0.69 TPSA 86.5 | ✓ Ro5 | ✓ Clean |
CCOC(=O)[C@H](N)CCS(C)(=O)=O
|
| ZINC12360002 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC12360703 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC12503599 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC16546165 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO[P@](=O)(O)OP(=O)(…
|
| ZINC31977053 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC4806433 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC53683898 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586019 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@](=O)(O)OP(=O)…
|
| ZINC8586020 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC8586021 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO[P@@](=O)(O)OP(=O…
|
| ZINC8586022 | 0.595 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=…
|
| ZINC13537595 | 0.567 | 208.3 Da LogP 0.25 TPSA 104.2 | ✓ Ro5 | ✓ Clean |
CCC[S@](=N)(=O)CC[C@H](N)C(=O)O
|
| ZINC1579929 | 0.567 | 208.3 Da LogP 0.25 TPSA 104.2 | ✓ Ro5 | ✓ Clean |
CCC[S@@](=N)(=O)CC[C@@H](N)C(=O)O
|
| ZINC1607787 | 0.567 | 223.3 Da LogP 0.00 TPSA 97.5 | ✓ Ro5 | ✓ Clean |
CCCCS(=O)(=O)CC[C@@H](N)C(=O)O
|
| ZINC17130070 | 0.567 | 208.3 Da LogP 0.25 TPSA 104.2 | ✓ Ro5 | ✓ Clean |
CCC[S@](=N)(=O)CC[C@@H](N)C(=O)O
|
| ZINC3651794 | 0.567 | 208.3 Da LogP 0.25 TPSA 104.2 | ✓ Ro5 | ✓ Clean |
CCC[S@@](=N)(=O)CC[C@H](N)C(=O)O
|
| ZINC5784111 | 0.567 | 223.3 Da LogP 0.00 TPSA 97.5 | ✓ Ro5 | ✓ Clean |
CCCCS(=O)(=O)CC[C@H](N)C(=O)O
|
| ZINC12501123 | 0.563 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC13424932 | 0.563 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1…
|
| ZINC13424933 | 0.563 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O…
|
| ZINC2036187 | 0.563 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OP…
|
| ZINC3861741 | 0.563 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O…
|
| ZINC4228234 | 0.563 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC44960119 | 0.563 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O…
|
| ZINC4513863 | 0.563 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1…
|
| ZINC4513866 | 0.563 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]…
|
| ZINC79671662 | 0.563 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…
|
| ZINC79671663 | 0.563 | 427.2 Da LogP -1.75 TPSA 232.6 | 2 viol. | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O…
|
| ZINC34050079 | 0.548 | 224.2 Da LogP -0.91 TPSA 130.0 | ✓ Ro5 | ✓ Clean |
CS(=O)(=O)/N=C(\O)CC[C@H](N)C(=O)O
|
| ZINC13518964 | 0.544 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](…
|
| ZINC1532515 | 0.544 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…
|
| ZINC1842158 | 0.544 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O…
|
| ZINC2126310 | 0.544 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3201891 | 0.544 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H]…
|
| ZINC3201893 | 0.544 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](…
|
| ZINC3860156 | 0.544 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](…
|
| ZINC8613167 | 0.544 | 347.2 Da LogP -1.86 TPSA 186.1 | ✓ Ro5 | ✓ Clean |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](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.