Protein profile

KP13_03861

2Fe-2S ferredoxin-type domain-containing protein

Genome: KpKP13

Gene: AHE45392.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GV44
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Amino acids 369
Annotations 5
Features 22
PDB binders 11
Druggability 0.417

Overview

Basic information about this protein and its source genome.

Accession
KP13_03861
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45392.1
Status
annotated
Amino acids
369
Structure source
AlphaFold + ColabFold
GO
GO:0030170 Binding to pyridoxal 5' phosphate, 3-hydroxy-5-(hydroxymethyl)-2-methyl4-pyridine carboxaldehyde 5' phosphate, the biologically active form of vitamin B6. GO:0030151 Binding to a molybdenum ion (Mo). GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms. 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.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
45.161
Human E-value
1.36e-19
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Unknown
ColabFold pLDDT
93.8

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 0.417
Structure A0A0H3GV44
Pocket Pocket 13
P2Rank 0.859
Structure A0A0H3GV44
Pocket Pocket 1
ColabFold model
FPocket 0.726 · Pocket 4
P2Rank 0.805 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 107 / 4744 genomes with a hit
Normalized 0.023

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Gene Ontology (GO)

5
  • GO:0030170 Binding to pyridoxal 5' phosphate, 3-hydroxy-5-(hydroxymethyl)-2-methyl4-pyridine carboxaldehyde 5' phosphate, the biologically active form of vitamin B6.
  • GO:0030151 Binding to a molybdenum ion (Mo).
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
  • GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.
  • 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.

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
323 331 ProSitePatterns PS00197 2Fe-2S ferredoxin-type iron-sulfur binding region signature.
323 331 InterPro IPR006058 2Fe-2S ferredoxin, iron-sulphur binding site
139 262 Pfam PF03473 MOSC domain
139 262 InterPro IPR005302 Molybdenum cofactor sulfurase, C-terminal
115 264 ProSiteProfiles PS51340 MOSC domain profile.
115 264 InterPro IPR005302 Molybdenum cofactor sulfurase, C-terminal
1 116 Pfam PF03476 MOSC N-terminal beta barrel domain
1 116 InterPro IPR005303 Molybdenum cofactor sulfurase, middle domain
296 362 Pfam PF00111 2Fe-2S iron-sulfur cluster binding domain
296 362 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
3 264 SUPERFAMILY SSF50800 PK beta-barrel domain-like
3 264 InterPro IPR011037 Pyruvate kinase-like, insert domain superfamily
272 368 Gene3D G3DSA:3.10.20.30 -
272 368 InterPro IPR012675 Beta-grasp domain superfamily
4 263 PANTHER PTHR14237 MOLYBDOPTERIN COFACTOR SULFURASE MOSC
280 367 SUPERFAMILY SSF54292 2Fe-2S ferredoxin-like
280 367 InterPro IPR036010 2Fe-2S ferredoxin-like superfamily
290 367 CDD cd00207 fer2
290 367 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
287 369 ProSiteProfiles PS51085 2Fe-2S ferredoxin-type iron-sulfur binding domain profile.
287 369 InterPro IPR001041 2Fe-2S ferredoxin-type iron-sulfur binding domain
4 132 SUPERFAMILY SSF141673 MOSC N-terminal domain-like

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_A0A0H3GV44
AlphaFold — — full sequence — Viewing
ColabFold KP13_03861
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
13 0.417
2 0.28

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 15.69 0.759
2 2.76 0.084
3 1.97 0.042
4 1.35 0.016

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.

61 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
B3P
6FW2
Q5VT66 282.3 Da LogP -4.01 TPSA 145.4 1 viol. ✓ Clean C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
BCR
6L7O
P0A3C9 536.9 Da LogP 12.61 TPSA 0.0 2 viol. ✓ Clean CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C…
DGD
6KHI
P0A3C9 949.3 Da LogP 7.61 TPSA 231.1 4 viol. ✓ Clean CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C…
EFK
6FW2
Q5VT66 128.9 Da LogP -0.68 TPSA 37.3 ✓ Ro5 ✓ Clean O[Mo]=O
FES
4N58
A0A067XG75 175.8 Da LogP 1.29 TPSA 0.0 ✓ Ro5 ✓ Clean S1[Fe]S[Fe]1
LHG
6KHI
P0A3C9 723.0 Da LogP 9.89 TPSA 148.8 2 viol. ✓ Clean CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@…
LMG
5ZF0
P0A3C9 787.2 Da LogP 9.78 TPSA 152.0 2 viol. ✓ Clean CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C…
MOO
6FW2
Q5VT66 159.9 Da LogP -2.62 TPSA 80.3 ✓ Ro5 ✓ Clean [O-][Mo](=O)(=O)[O-]
MTE
6FW2
Q5VT66 395.4 Da LogP -0.54 TPSA 171.8 1 viol. ✓ Clean C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(…
PQN
5ZF0
P0A3C9 450.7 Da LogP 9.16 TPSA 34.1 1 viol. Alert CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CC…
SQD
6KHI
P0A3C9 795.1 Da LogP 8.12 TPSA 186.1 3 viol. ✓ Clean CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C…

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.