Protein profile

KP13_31832

Sucrose-6-phosphate hydrolase

Genome: KpKP13

Gene: AHE42831.1 cscA Structure source: AlphaFold + ColabFold UniProt A0A0H3H2E4

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Amino acids 478

Annotations 6

Features 17

PDB binders 2

Druggability 0.304

Overview

Basic information about this protein and its source genome.

Accession: KP13_31832
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE42831.1 cscA
Status: annotated
Amino acids: 478
Structure source: AlphaFold + ColabFold

3.2.1.26

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures. 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:0004564 Catalysis of the reaction: a fructofuranosylated fructofuranosyl acceptor + H2O = a non fructofuranosylated fructofuranosyl acceptor + a beta-D-fructofuranoside. GO:0005985 The chemical reactions and pathways involving sucrose, the disaccharide fructofuranosyl-glucopyranoside.

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: 97.1

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 0.304

Structure A0A0H3H2E4

Pocket Pocket 2

P2Rank 0.863

Structure A0A0H3H2E4

Pocket Pocket 1

ColabFold model

FPocket 0.682 · Pocket 9

P2Rank 0.87 · Pocket 1

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 54 / 4744 genomes with a hit

Normalized 0.011

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)

3.2.1.26

Gene Ontology (GO)

GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
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:0004564 Catalysis of the reaction: a fructofuranosylated fructofuranosyl acceptor + H2O = a non fructofuranosylated fructofuranosyl acceptor + a beta-D-fructofuranoside.
GO:0005985 The chemical reactions and pathways involving sucrose, the disaccharide fructofuranosyl-glucopyranoside.

Sequence Features

Domain/signature hits from InterPro and related databases.

17 records

Show feature table

Start	End	DB	Term	Name
346	478	Gene3D	G3DSA:2.60.120.560	-
9	477	PANTHER	PTHR43101	BETA-FRUCTOSIDASE
29	441	SMART	SM00640	glyco_32
29	441	InterPro	IPR001362	Glycoside hydrolase, family 32
330	478	SUPERFAMILY	SSF49899	Concanavalin A-like lectins/glucanases
330	478	InterPro	IPR013320	Concanavalin A-like lectin/glucanase domain superfamily
21	330	SUPERFAMILY	SSF75005	Arabinanase/levansucrase/invertase
21	330	InterPro	IPR023296	Glycosyl hydrolase, five-bladed beta-propellor domain superfamily
348	476	Pfam	PF08244	Glycosyl hydrolases family 32 C terminal
348	476	InterPro	IPR013189	Glycosyl hydrolase family 32, C-terminal
35	320	CDD	cd08996	GH32_FFase
14	452	NCBIfam	TIGR01322	sucrose-6-phosphate hydrolase
14	452	InterPro	IPR006232	Sucrose-6-phosphate hydrolase
2	342	Gene3D	G3DSA:2.115.10.20	Glycosyl hydrolase domain; family 43
2	342	InterPro	IPR023296	Glycosyl hydrolase, five-bladed beta-propellor domain superfamily
29	330	Pfam	PF00251	Glycosyl hydrolases family 32 N-terminal domain
29	330	InterPro	IPR013148	Glycosyl hydrolase family 32, N-terminal

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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_A0A0H3H2E4	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_31832	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				0.304

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	Score	Probability
1	18.04	0.814
2	2.24	0.055
3	1.6	0.025
4	1.35	0.016
5	1.3	0.014

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
9				0.682
13				0.477

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	Score	Probability
1	18.11	0.815
2	3.3	0.116
3	2.78	0.085
4	1.69	0.029
5	1.38	0.017

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.

52 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
DQQ	2AEY	Q93X60	163.2 Da LogP -2.97 TPSA 93.0	✓ Ro5	✓ Clean	`C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O`
FRU	2XQR	Q43866	180.2 Da LogP -3.22 TPSA 110.4	✓ Ro5	✓ Clean	`C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC13551953	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O`
ZINC13761953	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC4095790	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O`
ZINC4097479	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O`
ZINC65743154	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O`
ZINC65743155	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O`
ZINC65743156	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O`
ZINC95884212	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC34543671	0.645	205.2 Da LogP -1.90 TPSA 138.9	✓ Ro5	Alert	`[N-]=[N+]=NC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC95921630	0.645	205.2 Da LogP -1.90 TPSA 138.9	✓ Ro5	Alert	`[N-]=[N+]=NC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC2037887790	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@@H]2O[C@](O)(CO)[C@H](O)[C@…`
ZINC2037887791	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@@H]2O[C@](O)(CO)[C@@H](O)[C…`
ZINC4095713	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[C…`
ZINC4095714	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@](O)(CO)[C@@H](O)[C@…`
ZINC64219256	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[…`
ZINC64219257	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@@H]2O[C@@](O)(CO)[C@@H](O)[…`
ZINC64219258	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@@](O)(CO)[C@@H](O)…`
ZINC100351924	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O`
ZINC105102137	0.559	247.3 Da LogP -1.73 TPSA 93.4	✓ Ro5	✓ Clean	`OC[C@@H]1O[C@](O)(CN2CCCCC2)[C@@H](O)[C@H]1O`
ZINC105102147	0.559	247.3 Da LogP -1.73 TPSA 93.4	✓ Ro5	✓ Clean	`OC[C@@H]1O[C@](O)(CN2CCCCC2)[C@H](O)[C@H]1O`
ZINC12504372	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC138814335	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@H](O)[C@H]1O`
ZINC1532531	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1O`
ZINC1532847	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O`
ZINC1719118	0.559	247.3 Da LogP -1.73 TPSA 93.4	✓ Ro5	✓ Clean	`OC[C@@H]1O[C@](O)(CN2CCCCC2)[C@H](O)[C@@H]1O`
ZINC3869912	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O`
ZINC3869919	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC4095539	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O`
ZINC4096690	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC4896145	0.559	247.3 Da LogP -1.73 TPSA 93.4	✓ Ro5	✓ Clean	`OC[C@@H]1O[C@](O)(CN2CCCCC2)[C@@H](O)[C@@H]1O`
ZINC56874962	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O`
ZINC25721643	0.543	249.3 Da LogP -2.88 TPSA 102.6	✓ Ro5	✓ Clean	`OC[C@H]1O[C@@](O)(CN2CCOCC2)[C@@H](O)[C@@H]1O`
ZINC25721649	0.543	249.3 Da LogP -2.88 TPSA 102.6	✓ Ro5	✓ Clean	`OC[C@H]1O[C@](O)(CN2CCOCC2)[C@@H](O)[C@@H]1O`
ZINC253681754	0.538	247.3 Da LogP -0.63 TPSA 93.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC253681762	0.538	247.3 Da LogP -0.63 TPSA 93.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O`
ZINC253681766	0.538	247.3 Da LogP -0.63 TPSA 93.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O`
ZINC253681771	0.538	247.3 Da LogP -0.63 TPSA 93.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O`
ZINC247868245	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@…`
ZINC247868249	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@…`
ZINC34277667	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@@…`
ZINC34570867	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H…`
ZINC5830003	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@…`
ZINC12494320	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[…`
ZINC1529018664	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@](O)(CO)[C…`
ZINC15657774	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@](O)(CO)O[C@@…`
ZINC1857525442	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O[C@H]1O[C…`
ZINC1857525445	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@H]1O[C…`
ZINC253532685	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O[C@H]1O[C@…`
ZINC253532687	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O[C@H]1O[C…`
ZINC8952511	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@](O)(CO)O[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.