Protein profile

KP13_03666

hypothetical protein

Genome: KpKP13

Gene: AHE46008.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GSS4
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Amino acids 350
Annotations 6
Features 12
PDB binders 4
Druggability 0.859

Overview

Basic information about this protein and its source genome.

Accession
KP13_03666
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE46008.1
Status
annotated
Amino acids
350
Structure source
AlphaFold + ColabFold
EC
4.4.1.1
GO
GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. GO:0004124 Catalysis of the reaction: O3-acetyl-L-serine + hydrogen sulfide = L-cysteine + acetate. GO:0016829 Catalysis of the cleavage of C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation, or conversely adding a group to a double bond. They differ from other enzymes in that two substrates are involved in one reaction direction, but only one in the other direction. When acting on the single substrate, a molecule is eliminated and this generates either a new double bond or a new ring. 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:0019450 OBSOLETE. The chemical reactions and pathways resulting in the breakdown of L-cysteine into other compounds, including pyruvate.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
23.659
Human E-value
3.85e-15
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
96.22

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 0.859
Structure A0A0H3GSS4
Pocket Pocket 2
P2Rank 0.919
Structure A0A0H3GSS4
Pocket Pocket 1
ColabFold model
FPocket 0.857 · Pocket 2
P2Rank 0.93 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 125 / 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 5 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

5
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0004124 Catalysis of the reaction: O3-acetyl-L-serine + hydrogen sulfide = L-cysteine + acetate.
  • GO:0016829 Catalysis of the cleavage of C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation, or conversely adding a group to a double bond. They differ from other enzymes in that two substrates are involved in one reaction direction, but only one in the other direction. When acting on the single substrate, a molecule is eliminated and this generates either a new double bond or a new ring.
  • 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:0019450 OBSOLETE. The chemical reactions and pathways resulting in the breakdown of L-cysteine into other compounds, including pyruvate.

Sequence Features

Domain/signature hits from InterPro and related databases.

12 records
Show feature table
Start End DB Term Name
49 155 InterPro IPR036052 Tryptophan synthase beta chain-like, PALP domain superfamily
23 320 Gene3D G3DSA:3.40.50.1100 -
23 320 InterPro IPR036052 Tryptophan synthase beta chain-like, PALP domain superfamily
22 313 Pfam PF00291 Pyridoxal-phosphate dependent enzyme
22 313 InterPro IPR001926 Tryptophan synthase beta chain-like, PALP domain
22 330 PANTHER PTHR10314 CYSTATHIONINE BETA-SYNTHASE
2 348 Hamap MF_00868 L-cysteine desulfhydrase Cds1 [cds1].
2 348 InterPro IPR047586 L-cysteine desulfhydrase Cds1
49 155 FunFam G3DSA:3.40.50.1100:FF:000015 Cysteine synthase B
20 333 SUPERFAMILY SSF53686 Tryptophan synthase beta subunit-like PLP-dependent enzymes
20 333 InterPro IPR036052 Tryptophan synthase beta chain-like, PALP domain superfamily
49 155 Gene3D G3DSA:3.40.50.1100 -

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_A0A0H3GSS4
AlphaFold — — full sequence — Viewing
ColabFold KP13_03666
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 0.859
11 0.376
1 0.363

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 16.89 0.79
2 1.43 0.019
3 1.14 0.009
4 1.04 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.

14 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
FLC
5D85
A6QDA0 189.1 Da LogP -5.25 TPSA 140.6 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
KOU
3PC4
Q9VRD9 334.2 Da LogP -0.43 TPSA 169.8 ✓ Ro5 ✓ Clean Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O
MLI
5I7W
A0A0H3G350 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
P1T
6XYL
A0A125YSJ9 318.2 Da LogP 0.39 TPSA 149.2 ✓ Ro5 ✓ Clean Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)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.