Overview
Basic information about this protein and its source genome.
- Accession
- PA2905
- Gene
- PA2905 cobH
- Status
- annotated
- Amino acids
- 208
- Structure source
- AlphaFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- Localization
- Cytoplasmic
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Enzyme Commission (EC)
1Gene Ontology (GO)
2- GO:0016993 Catalysis of the reaction: precorrin-8X = hydrogenobyrinate.
- GO:0009236 The chemical reactions and pathways resulting in the formation of cobalamin (vitamin B12), a water-soluble vitamin characterized by possession of a corrin nucleus containing a cobalt atom.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 2 | 205 | PANTHER | PTHR43588 | COBALT-PRECORRIN-8 METHYLMUTASE |
| 1 | 205 | SUPERFAMILY | SSF63965 | Precorrin-8X methylmutase CbiC/CobH |
| 1 | 205 | InterPro | IPR036588 | Precorrin-8X methylmutase CobH/CbiC superfamily |
| 1 | 207 | Gene3D | G3DSA:3.40.50.10230 | - |
| 1 | 207 | InterPro | IPR036588 | Precorrin-8X methylmutase CobH/CbiC superfamily |
| 11 | 205 | Pfam | PF02570 | Precorrin-8X methylmutase |
| 11 | 205 | InterPro | IPR003722 | Cobalamin biosynthesis precorrin-8X methylmutase CobH/CbiC |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
No pockets are loaded yet for the displayed AlphaFold model PA2905 structure. Run experimental pocket backfill to show FPocket/P2Rank overlays on this structure.
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
PA2905
|
AlphaFold | — | — | full sequence | — | Viewing |
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 |
|---|---|---|---|---|---|---|
| 0UK | D5AV08 | 883.0 Da LogP 5.65 TPSA 310.2 | 4 viol. | ✓ Clean |
C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C…
|
|
| 8F5 | D5AV08 | 907.0 Da LogP 6.48 TPSA 310.2 | 4 viol. | ✓ Clean |
C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/C…
|
|
| COJ | P21638 | 881.0 Da LogP 5.92 TPSA 310.2 | 4 viol. | ✓ Clean |
C/C/1=C/2\[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@…
|
|
| P33 | Q8EXP7 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
C(COCCOCCOCCOCCOCCOCCO)O
|
|
| P8X | D5AV08 | 867.0 Da LogP 5.53 TPSA 310.2 | 4 viol. | ✓ Clean |
C[C@@H]1C2=C(C(C(=N2)/C=C\3/[C@H]([C@](C(=N3)/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).
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 |
|---|---|---|---|---|---|
| ZINC12501520 | 1.000 | 458.5 Da LogP -0.88 TPSA 123.5 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC3874716 | 1.000 | 414.5 Da LogP -0.90 TPSA 114.3 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC4283769 | 1.000 | 238.3 Da LogP -0.96 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCO
|
| ZINC4521548 | 1.000 | 282.3 Da LogP -0.95 TPSA 86.6 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCO
|
| ZINC5178829 | 1.000 | 326.4 Da LogP -0.93 TPSA 95.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5178830 | 1.000 | 370.4 Da LogP -0.91 TPSA 105.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC115086873 | 0.688 | 209.2 Da LogP -1.08 TPSA 83.2 | ✓ Ro5 | ✓ Clean |
NOCCOCCOCCOCCO
|
| ZINC137432264 | 0.688 | 457.6 Da LogP -0.91 TPSA 129.3 | 1 viol. | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC146143823 | 0.688 | 237.3 Da LogP -1.00 TPSA 83.2 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCO
|
| ZINC1542984442 | 0.688 | 413.5 Da LogP -0.93 TPSA 120.1 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1565503710 | 0.688 | 254.3 Da LogP -0.03 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCS
|
| ZINC1580161 | 0.688 | 208.3 Da LogP -0.33 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCO
|
| ZINC16052118 | 0.688 | 340.4 Da LogP -0.28 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCO
|
| ZINC16052257 | 0.688 | 384.5 Da LogP -0.26 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1857792028 | 0.688 | 430.6 Da LogP 0.04 TPSA 94.1 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC1857792057 | 0.688 | 474.6 Da LogP 0.06 TPSA 103.3 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC230494776 | 0.688 | 325.4 Da LogP -0.96 TPSA 101.6 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCO
|
| ZINC34317654 | 0.688 | 472.6 Da LogP -0.23 TPSA 112.5 | 1 viol. | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC38917157 | 0.688 | 210.3 Da LogP -0.04 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCS
|
| ZINC44076059 | 0.688 | 428.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC5210101 | 0.688 | 252.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCO
|
| ZINC5650743 | 0.688 | 222.3 Da LogP 0.07 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCO
|
| ZINC5997860 | 0.688 | 296.4 Da LogP -0.29 TPSA 75.6 | ✓ Ro5 | ✓ Clean |
COCCOCCOCCOCCOCCOCCO
|
| ZINC6403917 | 0.688 | 354.4 Da LogP 0.11 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC77271182 | 0.688 | 281.3 Da LogP -0.98 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCO
|
| ZINC83253921 | 0.688 | 369.5 Da LogP -0.95 TPSA 110.9 | ✓ Ro5 | ✓ Clean |
NCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC90741446 | 0.688 | 386.5 Da LogP 0.02 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCOCCOCCS
|
| ZINC90741447 | 0.688 | 298.4 Da LogP -0.01 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCCOCCS
|
| ZINC144169243 | 0.647 | 281.3 Da LogP -1.37 TPSA 89.4 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCNCCOCCOCCO
|
| ZINC205758716 | 0.647 | 457.6 Da LogP -1.31 TPSA 126.3 | 1 viol. | ✓ Clean |
OCCOCCOCCOCCOCCNCCOCCOCCOCCOCCO
|
| ZINC575441396 | 0.647 | 369.5 Da LogP -1.34 TPSA 107.9 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCNCCOCCOCCOCCO
|
| ZINC1644613 | 0.611 | 206.3 Da LogP 0.83 TPSA 47.9 | ✓ Ro5 | ✓ Clean |
CCCCOCCOCCOCCO
|
| ZINC258839852 | 0.611 | 276.3 Da LogP 0.61 TPSA 57.2 | ✓ Ro5 | ✓ Clean |
OCCOCCOCCOCCOCC(F)(F)F
|
| ZINC167715346 | 0.600 | 266.3 Da LogP -0.18 TPSA 77.4 | ✓ Ro5 | ✓ Clean |
OCCCOCCOCCOCCOCCCO
|
| ZINC34160867 | 0.600 | 222.3 Da LogP -0.20 TPSA 68.2 | ✓ Ro5 | ✓ Clean |
OCCCOCCOCCOCCCO
|
| ZINC1580159 | 0.588 | 210.3 Da LogP -0.26 TPSA 58.9 | ✓ Ro5 | ✓ Clean |
OCCOCCSCCOCCO
|
| ZINC142610155 | 0.579 | 340.4 Da LogP -0.84 TPSA 112.9 | ✓ Ro5 | ✓ Clean |
O=C(O)COCCOCCOCCOCCOCCOCCO
|
| ZINC1542984426 | 0.579 | 428.5 Da LogP -0.80 TPSA 131.4 | ✓ Ro5 | ✓ Clean |
O=C(O)COCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC1542984432 | 0.579 | 398.4 Da LogP -0.43 TPSA 122.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC207588231 | 0.579 | 207.3 Da LogP -0.75 TPSA 60.0 | ✓ Ro5 | ✓ Clean |
CNCCOCCOCCOCCO
|
| ZINC258828116 | 0.579 | 452.5 Da LogP -0.24 TPSA 103.3 | ✓ Ro5 | ✓ Clean |
C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC258836919 | 0.579 | 364.4 Da LogP -0.27 TPSA 84.8 | ✓ Ro5 | ✓ Clean |
C#CCOCCOCCOCCOCCOCCOCCOCCO
|
| ZINC33967025 | 0.579 | 252.3 Da LogP -0.87 TPSA 94.5 | ✓ Ro5 | ✓ Clean |
O=C(O)COCCOCCOCCOCCO
|
| ZINC39267847 | 0.579 | 208.2 Da LogP -0.89 TPSA 85.2 | ✓ Ro5 | ✓ Clean |
O=C(O)COCCOCCOCCO
|
| ZINC575440725 | 0.579 | 295.4 Da LogP -1.03 TPSA 80.6 | ✓ Ro5 | ✓ Clean |
CN(CCOCCOCCO)CCOCCOCCO
|
| ZINC83254087 | 0.579 | 266.3 Da LogP -0.48 TPSA 94.5 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCOCCO
|
| ZINC95920522 | 0.579 | 296.3 Da LogP -0.85 TPSA 103.7 | ✓ Ro5 | ✓ Clean |
O=C(O)COCCOCCOCCOCCOCCO
|
| ZINC96503406 | 0.579 | 276.3 Da LogP -0.31 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
C#CCOCCOCCOCCOCCOCCO
|
| ZINC96503425 | 0.579 | 222.2 Da LogP -0.50 TPSA 85.2 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCO
|
| ZINC96503526 | 0.579 | 442.5 Da LogP -0.41 TPSA 131.4 | ✓ Ro5 | ✓ Clean |
O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCO
|
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.