Protein profile

VK055_0428

2Fe-2S iron-sulfur cluster binding domain protein

Genome: KpATCC43816

Gene: AIK79054.1 Structure source: AlphaFold + ColabFold UniProt A0ABD7NIP3
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Amino acids 322
Annotations 5
Features 30
PDB binders 1
Druggability 0.143

Overview

Basic information about this protein and its source genome.

Accession
VK055_0428
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK79054.1
Status
annotated
Amino acids
322
Structure source
AlphaFold + ColabFold
EC
1.-.-.-
GO
GO:0051537 Binding to a 2 iron, 2 sulfur (2Fe-2S) cluster; this cluster consists of two iron atoms, with two inorganic sulfur atoms found between the irons and acting as bridging ligands. GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms. 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:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Human identity (%)
0.0
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
35.505
Localization
Cytoplasmic
ColabFold pLDDT
91.4

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 0.143
Structure A0ABD7NIP3
Pocket Pocket 2
P2Rank 0.487
Structure A0ABD7NIP3
Pocket Pocket 1
ColabFold model
FPocket 0.603 · Pocket 6
P2Rank 0.432 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 5 / 4744 genomes with a hit
Normalized 0.001

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0051537 Binding to a 2 iron, 2 sulfur (2Fe-2S) cluster; this cluster consists of two iron atoms, with two inorganic sulfur atoms found between the irons and acting as bridging ligands.
  • GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.
  • 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:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

30 records
Show feature table
Start End DB Term Name
2 102 Gene3D G3DSA:2.40.30.10 Translation factors
3 101 SUPERFAMILY SSF63380 Riboflavin synthase domain-like
3 101 InterPro IPR017938 Riboflavin synthase-like beta-barrel
238 321 CDD cd00207 fer2
238 321 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
271 279 ProSitePatterns PS00197 2Fe-2S ferredoxin-type iron-sulfur binding region signature.
271 279 InterPro IPR006058 2Fe-2S ferredoxin, iron-sulphur binding site
243 313 Pfam PF00111 2Fe-2S iron-sulfur cluster binding domain
243 313 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
226 322 Gene3D G3DSA:3.10.20.30 -
226 322 InterPro IPR012675 Beta-grasp domain superfamily
213 320 SUPERFAMILY SSF54292 2Fe-2S ferredoxin-like
213 320 InterPro IPR036010 2Fe-2S ferredoxin-like superfamily
31 41 PRINTS PR00409 Phthalate dioxygenase reductase family signature
77 91 PRINTS PR00409 Phthalate dioxygenase reductase family signature
53 67 PRINTS PR00409 Phthalate dioxygenase reductase family signature
137 146 PRINTS PR00409 Phthalate dioxygenase reductase family signature
112 131 PRINTS PR00409 Phthalate dioxygenase reductase family signature
191 199 PRINTS PR00409 Phthalate dioxygenase reductase family signature
41 53 PRINTS PR00409 Phthalate dioxygenase reductase family signature
237 322 ProSiteProfiles PS51085 2Fe-2S ferredoxin-type iron-sulfur binding domain profile.
237 322 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
99 228 SUPERFAMILY SSF52343 Ferredoxin reductase-like, C-terminal NADP-linked domain
99 228 InterPro IPR039261 Ferredoxin-NADP reductase (FNR), nucleotide-binding domain
1 106 ProSiteProfiles PS51384 Ferredoxin reductase-type FAD binding domain profile.
1 106 InterPro IPR017927 FAD-binding domain, ferredoxin reductase-type
13 224 CDD cd06185 PDR_like
9 321 PANTHER PTHR47354 NADH OXIDOREDUCTASE HCR
105 223 Gene3D G3DSA:3.40.50.80 -
105 223 InterPro IPR039261 Ferredoxin-NADP reductase (FNR), nucleotide-binding domain

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_A0ABD7NIP3
AlphaFold — — full sequence — Viewing
ColabFold VK055_0428
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 7.78 0.412
2 1.91 0.039
3 1.4 0.017
4 1.01 0.006

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.

1 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
FES
5OGX
A0A076MZ01 175.8 Da LogP 1.29 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]S[Fe]1

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.