Protein profile

KP13_04491

putative hydrolase

Genome: KpKP13

Gene: AHE44365.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GNY8
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Amino acids 373
Annotations 4
Features 18
PDB binders 3
Druggability 0.541

Overview

Basic information about this protein and its source genome.

Accession
KP13_04491
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE44365.1
Status
annotated
Amino acids
373
Structure source
AlphaFold + ColabFold
GO
GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc. GO:0046872 Binding to a metal ion. GO:0050118 Catalysis of the reaction: H2O + N-acetyl-(2S,6S)-2,6-diaminoheptanedioate = (2S,6S)-2,6-diaminoheptanedioate + acetate. GO:0019877 OBSOLETE. The chemical reactions and pathways resulting in the formation of diaminopimelate, both as an intermediate in lysine biosynthesis and as a component (as meso-diaminopimelate) of the peptidoglycan of Gram-negative bacterial cell walls.

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 (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
97.3

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 0.541
Structure A0A0H3GNY8
Pocket Pocket 12
P2Rank 0.685
Structure A0A0H3GNY8
Pocket Pocket 1
ColabFold model
FPocket 0.561 · Pocket 6
P2Rank 0.738 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 60 / 4744 genomes with a hit
Normalized 0.013

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Gene Ontology (GO)

4
  • GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.
  • GO:0046872 Binding to a metal ion.
  • GO:0050118 Catalysis of the reaction: H2O + N-acetyl-(2S,6S)-2,6-diaminoheptanedioate = (2S,6S)-2,6-diaminoheptanedioate + acetate.
  • GO:0019877 OBSOLETE. The chemical reactions and pathways resulting in the formation of diaminopimelate, both as an intermediate in lysine biosynthesis and as a component (as meso-diaminopimelate) of the peptidoglycan of Gram-negative bacterial cell walls.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
171 287 FunFam G3DSA:3.30.70.360:FF:000001 N-acetyldiaminopimelate deacetylase
2 372 CDD cd05669 M20_Acy1_YxeP-like
2 372 InterPro IPR033846 YxeP peptidase-like
7 354 Gene3D G3DSA:3.40.630.10 Zn peptidases
63 367 Pfam PF01546 Peptidase family M20/M25/M40
63 367 InterPro IPR002933 Peptidase M20
175 266 Pfam PF07687 Peptidase dimerisation domain
175 266 InterPro IPR011650 Peptidase M20, dimerisation domain
3 370 SUPERFAMILY SSF53187 Zn-dependent exopeptidases
4 371 PANTHER PTHR11014 PEPTIDASE M20 FAMILY MEMBER
4 371 InterPro IPR017439 Amidohydrolase
7 356 NCBIfam TIGR01891 amidohydrolase
7 356 InterPro IPR017439 Amidohydrolase
171 285 Gene3D G3DSA:3.30.70.360 -
1 372 PIRSF PIRSF005962 Amidohydrol_AmhX
1 372 InterPro IPR017439 Amidohydrolase
174 279 SUPERFAMILY SSF55031 Bacterial exopeptidase dimerisation domain
174 279 InterPro IPR036264 Bacterial exopeptidase dimerisation 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_A0A0H3GNY8
AlphaFold — — full sequence — Viewing
ColabFold KP13_04491
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 0.02
1 0.001
5 0.001
15 0.0

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 15.89 0.685
2 3.11 0.084
3 2.2 0.044

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.

53 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
BTB
6SLF
Q8GGD4 209.2 Da LogP -3.01 TPSA 104.4 ✓ Ro5 ✓ Clean C(CO)N(CCO)C(CO)(CO)CO
LJ8
6SLF
Q8GGD4 369.4 Da LogP 2.88 TPSA 117.7 ✓ Ro5 ✓ Clean C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=…
PE7
4EWT
A0A0H2WZV8 342.5 Da LogP 0.01 TPSA 75.6 ✓ Ro5 ✓ Clean C(COCCOCCOCCOCCOCCOCCS)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.