Protein profile

KP13_00829

Flavohemoprotein

Genome: KpKP13

Gene: hmp AHE43193.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GWU0
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Amino acids 396
Annotations 12
Features 33
PDB binders 9
Druggability 0.032

Overview

Basic information about this protein and its source genome.

Accession
KP13_00829
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
hmp AHE43193.1
Status
annotated
Amino acids
396
Structure source
AlphaFold + ColabFold
EC
1.14.12.17
GO
GO:0008941 Catalysis of the reaction: 2 NO + 2 O2 + NAD(P)H + H+ = 2 nitrate + NAD(P)+. GO:0051409 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a nitrosative stress stimulus. Nitrosative stress is a state often resulting from exposure to high levels of nitric oxide (NO) or the highly reactive oxidant peroxynitrite, which is produced following interaction of NO with superoxide anions. 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:0019825 Binding to oxygen (O2). GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring. GO:0071949 Binding to the oxidized form, FAD, of flavin-adenine dinucleotide, the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
26.012
Human E-value
1.34e-08
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
94.27

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 0.032
Structure A0A0H3GWU0
Pocket Pocket 18
P2Rank 0.984
Structure A0A0H3GWU0
Pocket Pocket 1
ColabFold model
FPocket 0.942 · Pocket 25
P2Rank 0.992 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 124 / 4744 genomes with a hit
Normalized 0.026

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:0008941 Catalysis of the reaction: 2 NO + 2 O2 + NAD(P)H + H+ = 2 nitrate + NAD(P)+.
  • GO:0051409 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a nitrosative stress stimulus. Nitrosative stress is a state often resulting from exposure to high levels of nitric oxide (NO) or the highly reactive oxidant peroxynitrite, which is produced following interaction of NO with superoxide anions.
  • 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:0019825 Binding to oxygen (O2).
  • GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring.
  • GO:0071949 Binding to the oxidized form, FAD, of flavin-adenine dinucleotide, the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes.
  • GO:0046872 Binding to a metal ion.
  • GO:0005344 Binding to oxygen and delivering it to an acceptor molecule or a specific location.
  • GO:0071500 Any process that results in a change in state or activity of a cell (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a nitrosative stress stimulus. Nitrosative stress is a state often resulting from exposure to high levels of nitric oxide (NO) or the highly reactive oxidant peroxynitrite, which is produced following interaction of NO with superoxide anions.
  • GO:0046210 The chemical reactions and pathways resulting in the breakdown of nitric oxide, nitrogen monoxide (NO), a colorless gas only slightly soluble in water.
  • GO:0009636 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a toxic stimulus.

Sequence Features

Domain/signature hits from InterPro and related databases.

33 records
Show feature table
Start End DB Term Name
156 252 Pfam PF00970 Oxidoreductase FAD-binding domain
156 252 InterPro IPR008333 Flavoprotein pyridine nucleotide cytochrome reductase-like, FAD-binding domain
263 282 PRINTS PR00410 Phenol hydroxylase reductase family signature
358 366 PRINTS PR00410 Phenol hydroxylase reductase family signature
247 256 PRINTS PR00410 Phenol hydroxylase reductase family signature
183 195 PRINTS PR00410 Phenol hydroxylase reductase family signature
1 143 Gene3D G3DSA:1.10.490.10 Globins
1 143 InterPro IPR012292 Globin/Protoglobin
1 143 FunFam G3DSA:1.10.490.10:FF:000003 Flavohemoprotein
255 396 FunFam G3DSA:3.40.50.80:FF:000010 Flavohemoprotein
148 253 SUPERFAMILY SSF63380 Riboflavin synthase domain-like
148 253 InterPro IPR017938 Riboflavin synthase-like beta-barrel
150 255 ProSiteProfiles PS51384 Ferredoxin reductase-type FAD binding domain profile.
150 255 InterPro IPR017927 FAD-binding domain, ferredoxin reductase-type
2 139 CDD cd14776 HmpEc-globin-like
149 253 Gene3D G3DSA:2.40.30.10 Translation factors
256 394 SUPERFAMILY SSF52343 Ferredoxin reductase-like, C-terminal NADP-linked domain
256 394 InterPro IPR039261 Ferredoxin-NADP reductase (FNR), nucleotide-binding domain
149 253 FunFam G3DSA:2.40.30.10:FF:000034 Flavohemoprotein
264 372 Pfam PF00175 Oxidoreductase NAD-binding domain
264 372 InterPro IPR001433 Oxidoreductase FAD/NAD(P)-binding
1 132 ProSiteProfiles PS01033 Globin family profile.
1 132 InterPro IPR000971 Globin
1 142 SUPERFAMILY SSF46458 Globin-like
1 142 InterPro IPR009050 Globin-like superfamily
1 395 PANTHER PTHR43396 FLAVOHEMOPROTEIN
147 393 CDD cd06184 flavohem_like_fad_nad_binding
1 396 Hamap MF_01252 Flavohemoprotein [hmp].
1 396 InterPro IPR023950 Flavohemoprotein
256 396 Gene3D G3DSA:3.40.50.80 -
256 396 InterPro IPR039261 Ferredoxin-NADP reductase (FNR), nucleotide-binding domain
27 130 Pfam PF00042 Globin
27 130 InterPro IPR000971 Globin

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_A0A0H3GWU0
AlphaFold — — full sequence — Viewing
ColabFold KP13_00829
ColabFold — — full sequence — Loaded
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

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 47.4 0.976
2 4.72 0.207
3 4.06 0.163
4 2.65 0.078
5 2.47 0.068

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.

59 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
AZI
2VHB
P04252 42.0 Da LogP 0.87 TPSA 58.7 ✓ Ro5 Alert [N-]=[N+]=[N-]
DGG
1CQX
P39662 735.0 Da LogP 9.75 TPSA 148.8 2 viol. ✓ Clean CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@…
ECN
4G1B
A6ZUP2 381.7 Da LogP 5.80 TPSA 27.1 1 viol. ✓ Clean c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl
FDA
1TVC
P22868 787.6 Da LogP -1.75 TPSA 363.3 3 viol. ✓ Clean Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C…
FES
1JQ4
P22868 175.8 Da LogP 1.29 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]S[Fe]1
KKK
3OZW
P39662 531.4 Da LogP 4.21 TPSA 69.1 1 viol. Alert CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn…
NO2
4G1V
A6ZUP2 46.0 Da LogP 0.25 TPSA 52.5 ✓ Ro5 ✓ Clean N(=O)[O-]
OXY
3S1I
B3DUZ7 32.0 Da LogP 0.07 TPSA 34.1 ✓ Ro5 ✓ Clean O=O
X89
3OZU
P39662 416.1 Da LogP 6.45 TPSA 27.1 1 viol. ✓ Clean c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl

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.