Protein profile

KP13_02537

putative DNA helicase

Genome: KpKP13

Gene: AHE43000.1 Structure source: AlphaFold + ColabFold UniProt A0A6A8ECJ4

Export view

Amino acids 1219

Annotations 6

Features 21

PDB binders 3

Druggability 0.592

Overview

Basic information about this protein and its source genome.

Accession: KP13_02537
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE43000.1
Status: annotated
Amino acids: 1219
Structure source: AlphaFold + ColabFold

GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator. GO:0004386 Catalysis of the reaction: ATP + H2O = ADP + phosphate, to drive the unwinding of a DNA or RNA helix. GO:0006468 The process of introducing a phosphate group on to a protein. GO:0004672 Catalysis of the phosphorylation of an amino acid residue in a protein, usually according to the reaction: a protein + ATP = a phosphoprotein + ADP. GO:0043139 Unwinding a DNA helix in the 5' to 3' direction, driven by ATP hydrolysis. GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Target profile

Computed evidence for target prioritization.

Human off-target: hit
Human identity (%): 37.755
Human E-value: 1.33e-09
Gut microbiome off-target: No hit
Essential (DEG): N
DEG identity (%): 0.0
Localization: Unknown
ColabFold pLDDT: 79.27

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 0.592

Structure A0A6A8ECJ4

Pocket Pocket 1

P2Rank 0.789

Structure A0A6A8ECJ4

Pocket Pocket 1

ColabFold model

FPocket 0.491 · Pocket 31

P2Rank 0.782 · Pocket 1

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 0 / 4744 genomes with a hit

Normalized 0

Sequence

Primary amino-acid sequence viewer.

METYLTGNFLNQYEDINTLNEYDRENGKPCLLEAAQNAKRVLIKFWPKDESKNNDIIEDLWRYEIRQLHRLKGLPGLGDYISSIVDSGKDERGFYLVLDADFRVPLSYIFKEKKTLSLNKEWIRNSRRIENRIKLWHNFIRIIKAIELLHSQGLLHRHLDKDSILTDPRSLDFDFQLTGFEWSLRVHAVSDKHNEYTSRDLKINKQYSFLSDWADLGFLIAELLNISSDRLINLQVTINDLVDETDLILDELILIRGLIGVMKLETNLSREAINGSIIIEKANTILKSLESLISKENSTRHIEFLFSAKANSEVTPDKITSVFNAIQYTINRDHGITISDKDIDECLDFITRDLSGKIYLSINKNRSNKEEILLYGEKLTYVLEKKRNGKTEDSDWNIAFCHAAYVEPPRQIKFKAKRIALERDVLKCIQFKSNNRYQGIYNSWDDLILELERDDNNILPNRVIVEGFAIYHLTEIAFAKSEIYPVTLISYDKDKTESKFFTVRIQCRQDDDHISTSLGIKPPAIRLHDNLENDRINSISWILTENNNFYDGDNEVTLDFIKTERNHEGVYEYIFTTNTLNPGFKKCFLIPSSVQGTIKQLSRRASSIDELSNHAELRSMLDDPYNNTIISEINNNLHSSFYSLDESKKDAFEKINKTLPIFLVQGPPGVGKTYLITTLVNQIFSNESESRIVLTAQSHSTVQHLYQEVTSSLDITNSKPLIVSCIKKDSDDDSDDISINQLDSLALEYIKRFIDSDIFDECTSTISKNSIISASRKSSKSDRYSLIKQILKSANMVFATTNSRQVEELISEKSQFDWSIMEETGKVTGVELLSPMLLSYRRLMIGDHKQLPPYATEKMREILTDINKLKNAIIIATDINNQQIKGDWIKERFTENFISTIDSETLEKLSSSAVRLHLLFESLVLEEKVKSQKYIDRYGDDRKHRKIASMLNFQHRMHPDIANLISSVFYDKKLKTEPSKEKFYRDANTITPFTFKPNSPLLNSPAIIWIDTPDVQQTKNNYAAESLPVWTNNLEKNTLLSVLEHLRVNSKAEKTPKLAIMSPYAKQVDLIKRSLDKKLHKEPNSLQIEYFQKPDDHSSFCSTVDGFQGAEADIVIVSMVRNNHHSYVRASLGFLLDSRRMNVLLSRAKYKMIIIGSFEFLKYWSDLIDKKEIKKGDLSNQFLVDLVNKLIEYEREGLLKKIDSREFKHVKQDKNKKRT

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.
GO:0004386 Catalysis of the reaction: ATP + H2O = ADP + phosphate, to drive the unwinding of a DNA or RNA helix.
GO:0006468 The process of introducing a phosphate group on to a protein.
GO:0004672 Catalysis of the phosphorylation of an amino acid residue in a protein, usually according to the reaction: a protein + ATP = a phosphoprotein + ADP.
GO:0043139 Unwinding a DNA helix in the 5' to 3' direction, driven by ATP hydrolysis.
GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Sequence Features

Domain/signature hits from InterPro and related databases.

21 records

Show feature table

Start	End	DB	Term	Name
33	101	Gene3D	G3DSA:3.30.200.20	Phosphorylase Kinase; domain 1
549	1191	PANTHER	PTHR43788	DNA2/NAM7 HELICASE FAMILY MEMBER
943	1157	Pfam	PF13087	AAA domain
943	1157	InterPro	IPR041679	DNA2/NAM7 helicase-like, C-terminal
35	225	SUPERFAMILY	SSF56112	Protein kinase-like (PK-like)
35	225	InterPro	IPR011009	Protein kinase-like domain superfamily
955	1182	Gene3D	G3DSA:3.40.50.300	-
955	1182	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
1	382	ProSiteProfiles	PS50011	Protein kinase domain profile.
1	382	InterPro	IPR000719	Protein kinase domain
54	226	Gene3D	G3DSA:1.10.510.10	Transferase(Phosphotransferase) domain 1
592	869	Gene3D	G3DSA:3.40.50.300	-
592	869	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
639	1173	SUPERFAMILY	SSF52540	P-loop containing nucleoside triphosphate hydrolases
639	1173	InterPro	IPR027417	P-loop containing nucleoside triphosphate hydrolase
957	1169	CDD	cd18808	SF1_C_Upf1
957	1169	InterPro	IPR047187	Upf1-like, C-terminal helicase domain
644	713	Pfam	PF13086	AAA domain
644	713	InterPro	IPR041677	DNA2/NAM7 helicase, helicase domain
770	854	Pfam	PF13086	AAA domain
770	854	InterPro	IPR041677	DNA2/NAM7 helicase, helicase domain

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...

Legend High Medium Low

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_A0A6A8ECJ4	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_02537	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
109				0.328
91				0.018
93				0.003
110				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	Score	Probability
1	20.15	0.789
2	13.6	0.608
3	11.76	0.54
4	7.51	0.332
5	4.46	0.156

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
5				0.025
107				0.0
118				0.0
121				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	Score	Probability
1	19.77	0.782
2	19.06	0.767
3	10.17	0.471
4	6.94	0.3
5	5.9	0.239

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.

54 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
ALF	2XZL	P30771	103.0 Da LogP 1.30 TPSA 0.0	✓ Ro5	✓ Clean	`F[Al-](F)(F)F`
ANP	2GJK	Q92900-2	506.2 Da LogP -2.06 TPSA 281.9	3 viol.	✓ Clean	`c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)…`
MLI	2XZP	Q92900-2	102.0 Da LogP -3.12 TPSA 80.3	✓ Ro5	✓ Clean	`C(C(=O)[O-])C(=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).

Ligand	UniProt (homolog)	pchembl	MW · LogP · TPSA	Lipinski	PAINS	SMILES
CHEMBL336296	P51530	—	484.1 Da LogP -2.50 TPSA 264.4	2 viol.	✓ Clean	`O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)…`

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
ZINC3875258	1.000	484.1 Da LogP -2.50 TPSA 264.4	2 viol.	✓ Clean	`O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)…`
ZINC8217150	0.691	388.2 Da LogP -1.59 TPSA 197.6	✓ Ro5	✓ Clean	`O=c1ccn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)OP(…`
ZINC12502055	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…`
ZINC12502057	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC12502058	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC13431057	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC13431059	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…`
ZINC25726736	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC3861746	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)…`
ZINC53683723	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…`
ZINC82142138	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC82142140	0.667	483.2 Da LogP -2.21 TPSA 270.4	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC13516025	0.655	499.2 Da LogP -1.99 TPSA 276.7	2 viol.	✓ Clean	`O=c1nc(NO)ccn1[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@…`
ZINC143630623	0.644	497.2 Da LogP -1.75 TPSA 256.4	2 viol.	✓ Clean	`CNc1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)…`
ZINC149873609	0.644	497.2 Da LogP -1.75 TPSA 256.4	2 viol.	✓ Clean	`CNc1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)…`
ZINC218375897	0.644	497.2 Da LogP -1.75 TPSA 256.4	2 viol.	✓ Clean	`CNc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…`
ZINC218375979	0.644	497.2 Da LogP -1.75 TPSA 256.4	2 viol.	✓ Clean	`CNc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…`
ZINC13546305	0.638	452.1 Da LogP -0.44 TPSA 223.9	✓ Ro5	✓ Clean	`O=c1ccn([C@@H]2CC[C@H](CO[P@](=O)(O)O[P@@](=O)(…`
ZINC104864216	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C…`
ZINC12504412	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…`
ZINC12504413	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC12504414	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC13431045	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC13431047	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…`
ZINC13548733	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC33913782	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC8215624	0.632	403.2 Da LogP -2.33 TPSA 223.9	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[…`
ZINC1857524169	0.621	419.2 Da LogP -2.11 TPSA 230.1	2 viol.	✓ Clean	`O=c1nc(NO)ccn1[C@@H]1O[C@H](CO[P@](=O)(O)OP(=O)…`
ZINC13540477	0.617	499.2 Da LogP -0.84 TPSA 253.3	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC218579342	0.617	499.2 Da LogP -0.84 TPSA 253.3	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC218579414	0.617	499.2 Da LogP -0.84 TPSA 253.3	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC218579482	0.617	499.2 Da LogP -0.84 TPSA 253.3	2 viol.	✓ Clean	`Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O…`
ZINC12405780	0.613	346.3 Da LogP -2.75 TPSA 188.7	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H]…`
ZINC12502832	0.613	346.3 Da LogP -2.75 TPSA 188.7	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H]…`
ZINC13547650	0.613	309.3 Da LogP -1.41 TPSA 145.6	✓ Ro5	✓ Clean	`CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)…`
ZINC4823971	0.613	309.3 Da LogP -1.41 TPSA 145.6	✓ Ro5	✓ Clean	`CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O…`
ZINC4823975	0.613	309.3 Da LogP -1.41 TPSA 145.6	✓ Ro5	✓ Clean	`CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](…`
ZINC4823980	0.613	309.3 Da LogP -1.41 TPSA 145.6	✓ Ro5	✓ Clean	`CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O…`
ZINC4823984	0.613	309.3 Da LogP -1.41 TPSA 145.6	✓ Ro5	✓ Clean	`CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](…`
ZINC5011204	0.613	295.3 Da LogP -1.80 TPSA 145.6	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC=O)[C@@H](O)[C@H…`
ZINC5011205	0.613	295.3 Da LogP -1.80 TPSA 145.6	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COC=O)[C@@H](O)[C@…`
ZINC5011206	0.613	295.3 Da LogP -1.80 TPSA 145.6	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC=O)[C@@H](O)[C@@…`
ZINC5011208	0.613	295.3 Da LogP -1.80 TPSA 145.6	✓ Ro5	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COC=O)[C@@H](O)[C@…`
ZINC79460727	0.613	346.3 Da LogP -2.75 TPSA 188.7	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](…`
ZINC79460732	0.613	346.3 Da LogP -2.75 TPSA 188.7	1 viol.	✓ Clean	`Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](…`
ZINC231393162	0.611	287.2 Da LogP -2.75 TPSA 156.9	✓ Ro5	✓ Clean	`NC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](…`
ZINC5104172	0.611	287.2 Da LogP -2.75 TPSA 156.9	✓ Ro5	✓ Clean	`NC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O…`
ZINC5104173	0.611	287.2 Da LogP -2.75 TPSA 156.9	✓ Ro5	✓ Clean	`NC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](…`
ZINC5104174	0.611	287.2 Da LogP -2.75 TPSA 156.9	✓ Ro5	✓ Clean	`NC(=O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](…`
ZINC5104175	0.611	287.2 Da LogP -2.75 TPSA 156.9	✓ Ro5	✓ Clean	`NC(=O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[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.