Protein profile

KP13_04712

Respiratory nitrate reductase 1 alpha chain

Genome: KpKP13

Gene: narG AHE44023.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GUA4
Export view
Amino acids 1247
Annotations 12
Features 30
PDB binders 13
Druggability 0.983

Overview

Basic information about this protein and its source genome.

Accession
KP13_04712
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
narG AHE44023.1
Status
annotated
Amino acids
1247
Structure source
AlphaFold + ColabFold
EC
1.7.5.1
GO
GO:0009325 An enzyme complex that catalyzes the formation of nitrate from nitrite with the concomitant reduction of an acceptor. 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: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:0042126 The chemical reactions and pathways involving nitrates, inorganic or organic salts and esters of nitric acid. GO:0008940 Catalysis of the reaction: nitrite + acceptor = nitrate + reduced acceptor. GO:0043546 Binding to a molybdopterin cofactor (Moco), essential for the catalytic activity of some enzymes, e.g. sulfite oxidase, xanthine dehydrogenase, and aldehyde oxidase. The cofactor consists of a mononuclear molybdenum (Mo-molybdopterin) or tungsten ion (W-molybdopterin) coordinated by one or two molybdopterin ligands.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
Y
DEG identity (%)
51.569
DEG E-value
0.0
Localization
CytoplasmicMembrane
ColabFold pLDDT
98.29

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 0.983
Structure A0A0H3GUA4
Pocket Pocket 2
P2Rank 0.916
Structure A0A0H3GUA4
Pocket Pocket 1
ColabFold model
FPocket 0.982 · Pocket 2
P2Rank 0.899 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 183 / 4744 genomes with a hit
Normalized 0.039

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 11 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

11
  • GO:0009325 An enzyme complex that catalyzes the formation of nitrate from nitrite with the concomitant reduction of an acceptor.
  • 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: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:0042126 The chemical reactions and pathways involving nitrates, inorganic or organic salts and esters of nitric acid.
  • GO:0008940 Catalysis of the reaction: nitrite + acceptor = nitrate + reduced acceptor.
  • GO:0043546 Binding to a molybdopterin cofactor (Moco), essential for the catalytic activity of some enzymes, e.g. sulfite oxidase, xanthine dehydrogenase, and aldehyde oxidase. The cofactor consists of a mononuclear molybdenum (Mo-molybdopterin) or tungsten ion (W-molybdopterin) coordinated by one or two molybdopterin ligands.
  • GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • GO:0046872 Binding to a metal ion.
  • GO:0160182 Catalysis of the reaction: a quinol + nitrate = a quinone + H2O + nitrite.
  • GO:0019645 A process in which a series of electron carriers operate together to transfer electrons from donors such as NADH and FADH2 to any of several different terminal electron acceptors other than oxygen to generate a transmembrane electrochemical gradient.
  • GO:0042128 The nitrogen metabolic process that encompasses the uptake of nitrate from the environment and reduction to ammonia, and results in the incorporation of nitrogen derived from nitrate into cellular substances.

Sequence Features

Domain/signature hits from InterPro and related databases.

30 records
Show feature table
Start End DB Term Name
1087 1202 Pfam PF01568 Molydopterin dinucleotide binding domain
1087 1202 InterPro IPR006657 Molybdopterin dinucleotide-binding domain
2 1235 NCBIfam TIGR01580 nitrate reductase subunit alpha
2 1235 InterPro IPR006468 Nitrate reductase, alpha subunit
1087 1226 CDD cd02776 MopB_CT_Nitrate-R-NarG-like
1087 1226 InterPro IPR037943 Nitrate reductase alpha subunit-like, MopB domain
44 1245 Gene3D G3DSA:3.40.50.12440 -
48 66 ProSitePatterns PS00551 Prokaryotic molybdopterin oxidoreductases signature 1.
48 66 InterPro IPR027467 Molybdopterin oxidoreductase, molybdopterin cofactor binding site
777 794 ProSitePatterns PS00490 Prokaryotic molybdopterin oxidoreductases signature 2.
777 794 InterPro IPR006655 Molybdopterin oxidoreductase, prokaryotic, conserved site
2 43 FunFam G3DSA:4.10.1200.10:FF:000001 Respiratory nitrate reductase subunit alpha
43 107 ProSiteProfiles PS51669 Prokaryotic molybdopterin oxidoreductases 4Fe-4S domain profile.
43 107 InterPro IPR006963 Molybdopterin oxidoreductase, 4Fe-4S domain
2 43 Gene3D G3DSA:4.10.1200.10 nitrate reductase tail
2 43 InterPro IPR044906 Nitrate reductase, alpha subunit, N-terminal domain superfamily
43 105 SMART SM00926 Molybdop_Fe4S4_2
43 105 InterPro IPR006963 Molybdopterin oxidoreductase, 4Fe-4S domain
1125 1152 ProSitePatterns PS00932 Prokaryotic molybdopterin oxidoreductases signature 3.
1125 1152 InterPro IPR006655 Molybdopterin oxidoreductase, prokaryotic, conserved site
44 1236 FunFam G3DSA:3.40.50.12440:FF:000001 Nitrate reductase subunit alpha
43 834 CDD cd02750 MopB_Nitrate-R-NarG-like
6 1226 PANTHER PTHR43105 RESPIRATORY NITRATE REDUCTASE
1082 1235 SUPERFAMILY SSF50692 ADC-like
1082 1235 InterPro IPR009010 Aspartate decarboxylase-like domain superfamily
108 833 Pfam PF00384 Molybdopterin oxidoreductase
108 833 InterPro IPR006656 Molybdopterin oxidoreductase
4 1070 SUPERFAMILY SSF53706 Formate dehydrogenase/DMSO reductase, domains 1-3
3 40 Pfam PF14710 Respiratory nitrate reductase alpha N-terminal
3 40 InterPro IPR028189 Nitrate reductase, alpha subunit, N-terminal

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

Loading 3D structure...

Legend High Medium Low

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_A0A0H3GUA4
AlphaFold — — full sequence — Viewing
ColabFold KP13_04712
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
2 0.983
1 0.966
58 0.555
61 0.377

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 17.92 0.811
2 14.35 0.72
3 10.55 0.567
4 4.87 0.218
5 4.35 0.181

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.

63 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
2MD
1TMO
O87948 742.6 Da LogP -2.53 TPSA 346.6 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=…
2MO
1TMO
O87948 127.9 Da LogP -0.24 TPSA 34.1 ✓ Ro5 ✓ Clean O=[Mo]=O
3PH
1Q16
P09152 705.0 Da LogP 12.07 TPSA 119.4 2 viol. ✓ Clean CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O…
6MO
1Q16
P09152 95.9 Da LogP -0.00 TPSA 0.0 ✓ Ro5 ✓ Clean [Mo+6]
AGA
1Q16
P09152 455.5 Da LogP 1.85 TPSA 151.7 ✓ Ro5 ✓ Clean CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[…
BSY
5CHC
G8QM55 128.0 Da LogP -2.25 TPSA 60.4 ✓ Ro5 ✓ Clean O[Se](=O)[O-]
F3S
1Q16
P09152 295.8 Da LogP 2.59 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]2S[Fe]3[S]2[Fe]1S3
H2S
6SDV
Q72EJ1 34.1 Da LogP 0.11 TPSA 0.0 ✓ Ro5 ✓ Clean S
MD1
1Q16
P09152 740.6 Da LogP -2.13 TPSA 358.0 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O…
MGD
1R27
P09152 740.6 Da LogP -2.06 TPSA 346.6 3 viol. ✓ Clean c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=…
MO
1R27
P09152 95.9 Da LogP -0.00 TPSA 0.0 ✓ Ro5 ✓ Clean [Mo]
PCI
1Y4Z
P09152 266.3 Da LogP 4.66 TPSA 20.2 ✓ Ro5 ✓ Clean c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O
W
6SDV
Q72EJ1 183.8 Da LogP -0.00 TPSA 0.0 ✓ Ro5 ✓ Clean [W+6]

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.