Protein profile

KP13_03039

Molybdenum cofactor biosynthesis protein C

Genome: KpKP13

Gene: moaC AHE45575.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GQ77
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Amino acids 162
Annotations 3
Features 13
PDB binders 2
Druggability 0.472

Overview

Basic information about this protein and its source genome.

Accession
KP13_03039
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
moaC AHE45575.1
Status
annotated
Amino acids
162
Structure source
AlphaFold + ColabFold
EC
4.6.1.17
GO
GO:0006777 The chemical reactions and pathways resulting in the formation of the Mo-molybdopterin cofactor, essential for the catalytic activity of some enzymes. The cofactor consists of a mononuclear molybdenum (Mo) ion coordinated by one or two molybdopterin ligands. GO:0061799 Catalysis of the reaction: (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate = cyclic pyranopterin phosphate + diphosphate.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
48.366
Human E-value
3.48e-42
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
56.129
DEG E-value
2.33e-53
Localization
Cytoplasmic
ColabFold pLDDT
93.71

Selected Druggability evidence

AlphaFold / UniProt model

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 0.472
Structure A0A0H3GQ77
Pocket Pocket 8
P2Rank 0.515
Structure A0A0H3GQ77
Pocket Pocket 1
ColabFold model
FPocket 0.448 · Pocket 5
P2Rank 0.566 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 800 / 4744 genomes with a hit
Normalized 0.169

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 2 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

2
  • GO:0006777 The chemical reactions and pathways resulting in the formation of the Mo-molybdopterin cofactor, essential for the catalytic activity of some enzymes. The cofactor consists of a mononuclear molybdenum (Mo) ion coordinated by one or two molybdopterin ligands.
  • GO:0061799 Catalysis of the reaction: (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate = cyclic pyranopterin phosphate + diphosphate.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records
Show feature table
Start End DB Term Name
1 162 FunFam G3DSA:3.30.70.640:FF:000001 Cyclic pyranopterin monophosphate synthase
15 154 CDD cd01420 MoaC_PE
15 154 InterPro IPR047594 Molybdenum cofactor biosynthesis C, bacteria/eukaryotes
1 160 Gene3D G3DSA:3.30.70.640 Molybdopterin cofactor biosynthesis C (MoaC) domain
1 160 InterPro IPR036522 Molybdopterin cofactor biosynthesis C (MoaC) domain superfamily
15 150 Pfam PF01967 MoaC family
15 150 InterPro IPR002820 Molybdopterin cofactor biosynthesis C (MoaC) domain
2 158 Hamap MF_01224_B Cyclic pyranopterin monophosphate synthase [moaC].
2 158 InterPro IPR047594 Molybdenum cofactor biosynthesis C, bacteria/eukaryotes
4 152 NCBIfam TIGR00581 cyclic pyranopterin monophosphate synthase MoaC
4 152 InterPro IPR023045 Molybdenum cofactor biosynthesis C
11 155 SUPERFAMILY SSF55040 Molybdenum cofactor biosynthesis protein C, MoaC
11 155 InterPro IPR036522 Molybdopterin cofactor biosynthesis C (MoaC) domain superfamily

3D Structure

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

3D visualization script Full viewer

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Structural evidence

0 + 2

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

Entry Method Resolution Chain Coverage Links Status
AlphaFold AF_A0A0H3GQ77
AlphaFold — — full sequence — Viewing
ColabFold KP13_03039
ColabFold — — full sequence — Loaded
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
8 0.472
1 0.247

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 Sticks Spheres Surfaces Score Probability Labels Zoom Positions
1 5.6 0.269

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.

5 records

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
8CS
4PYD
P0A738 345.2 Da LogP -1.63 TPSA 177.9 ✓ Ro5 ✓ Clean C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C…
FLC
2EKN
O59475 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[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.