Protein profile

KP13_03200

Phospho-cellobiase

Genome: KpKP13

Gene: AHE43587.1 casB Structure source: AlphaFold + ColabFold UniProt A0A0H3GSS3
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Amino acids 464
Annotations 5
Features 22
PDB binders 7
Druggability 0.716

Overview

Basic information about this protein and its source genome.

Accession
KP13_03200
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE43587.1 casB
Status
annotated
Amino acids
464
Structure source
AlphaFold + ColabFold
GO
GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y. GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond. GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0008422 Catalysis of the hydrolysis of terminal, non-reducing beta-D-glucose residues with release of beta-D-glucose. GO:0016052 The chemical reactions and pathways resulting in the breakdown of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.

Target profile

Computed evidence for target prioritization.

Human off-target
hit
Human identity (%)
35.789
Human E-value
1.54e-10
Gut microbiome off-target
hit
Essential (DEG)
N
DEG identity (%)
0.0
Localization
Cytoplasmic
ColabFold pLDDT
95.87

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 0.716
Structure A0A0H3GSS3
Pocket Pocket 33
P2Rank 0.969
Structure A0A0H3GSS3
Pocket Pocket 1
ColabFold model
FPocket 0.543 · Pocket 4
P2Rank 0.98 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 998 / 4744 genomes with a hit
Normalized 0.21

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:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
  • GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0008422 Catalysis of the hydrolysis of terminal, non-reducing beta-D-glucose residues with release of beta-D-glucose.
  • GO:0016052 The chemical reactions and pathways resulting in the breakdown of carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.

Sequence Features

Domain/signature hits from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
1 462 Gene3D G3DSA:3.20.20.80 Glycosidases
2 459 Pfam PF00232 Glycosyl hydrolase family 1
2 459 InterPro IPR001360 Glycoside hydrolase family 1
4 459 PANTHER PTHR10353 GLYCOSYL HYDROLASE
4 459 InterPro IPR001360 Glycoside hydrolase family 1
8 22 ProSitePatterns PS00653 Glycosyl hydrolases family 1 N-terminal signature.
8 22 InterPro IPR033132 Glycosyl hydrolases family 1, N-terminal conserved site
2 462 FunFam G3DSA:3.20.20.80:FF:000004 Beta-glucosidase 6-phospho-beta-glucosidase
2 455 SUPERFAMILY SSF51445 (Trans)glycosidases
2 455 InterPro IPR017853 Glycoside hydrolase superfamily
357 365 ProSitePatterns PS00572 Glycosyl hydrolases family 1 active site.
357 365 InterPro IPR018120 Glycoside hydrolase family 1, active site
399 416 PRINTS PR00131 Glycosyl hydrolase family 1 signature
399 416 InterPro IPR001360 Glycoside hydrolase family 1
291 305 PRINTS PR00131 Glycosyl hydrolase family 1 signature
291 305 InterPro IPR001360 Glycoside hydrolase family 1
424 436 PRINTS PR00131 Glycosyl hydrolase family 1 signature
424 436 InterPro IPR001360 Glycoside hydrolase family 1
378 389 PRINTS PR00131 Glycosyl hydrolase family 1 signature
378 389 InterPro IPR001360 Glycoside hydrolase family 1
357 365 PRINTS PR00131 Glycosyl hydrolase family 1 signature
357 365 InterPro IPR001360 Glycoside hydrolase family 1

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

Loading 3D structure...

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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_A0A0H3GSS3
AlphaFold — — full sequence — Viewing
ColabFold KP13_03200
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
33 0.716

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 35.82 0.954
2 3.37 0.12
3 1.06 0.006
4 0.95 0.005

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.

13 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
8P2
5N6T
Q08638 187.2 Da LogP -1.68 TPSA 101.4 ✓ Ro5 ✓ Clean C(C1C(C(C(C2C1O2)O)O)O)[N+]#N
AM3
2WC3
Q08638 316.4 Da LogP -0.18 TPSA 105.8 ✓ Ro5 ✓ Clean CCCCCCCC/N=C\1/N2[C@H](CO1)[C@@H]([C@@H]([C@H](…
GIM
7BZM
Q75I93 201.2 Da LogP -2.40 TPSA 100.6 ✓ Ro5 ✓ Clean c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)…
HBO
3AIQ
Q1XH05 211.2 Da LogP 0.13 TPSA 79.2 ✓ Ro5 ✓ Clean COc1ccc2c(c1)O[C@H](C(=O)N2O)O
IFM
1OIF
Q08638 147.2 Da LogP -2.08 TPSA 72.7 ✓ Ro5 ✓ Clean C1[C@@H]([C@H]([C@@H](CN1)O)O)CO
JJW
6QWI
P22073 348.4 Da LogP 0.05 TPSA 101.7 ✓ Ro5 ✓ Clean CCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](C…
JSK
6R4K
P22073 391.4 Da LogP -0.43 TPSA 149.9 ✓ Ro5 Alert [H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]…

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.