Protein profile

KP13_05238

Oxidoreductase, 2OG-Fe(II) oxygenase family protein

Genome: KpKP13

Gene: AHE44645.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GTB3

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Amino acids 342

Annotations 5

Features 13

PDB binders 8

Druggability 0.576

Overview

Basic information about this protein and its source genome.

Accession: KP13_05238
Assembly: Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene: AHE44645.1
Status: annotated
Amino acids: 342
Structure source: AlphaFold + ColabFold

1.13.12.19 1.14.20.7

GO:0102276 Catalysis of the reaction: 2-oxoglutarate(2-) + O2 + 2 H+ = ethene + 3 carbon dioxide + H2O. GO:0046872 Binding to a metal ion. GO:0009693 The chemical reactions and pathways resulting in the formation of ethylene (C2-H4, ethene), a simple hydrocarbon gas that can function in plants as a growth regulator.

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: 92.51

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 0.576

Structure A0A0H3GTB3

Pocket Pocket 2

P2Rank 0.973

Structure A0A0H3GTB3

Pocket Pocket 1

ColabFold model

FPocket 0.528 · Pocket 7

P2Rank 0.986 · Pocket 1

Core conservation Accessory gene

Roary core

CoreCruncher accessory

Gut microbiome 61 / 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.

2 EC 3 GO

Enzyme Commission (EC)

Gene Ontology (GO)

GO:0102276 Catalysis of the reaction: 2-oxoglutarate(2-) + O2 + 2 H+ = ethene + 3 carbon dioxide + H2O.
GO:0046872 Binding to a metal ion.
GO:0009693 The chemical reactions and pathways resulting in the formation of ethylene (C2-H4, ethene), a simple hydrocarbon gas that can function in plants as a growth regulator.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
173	275	ProSiteProfiles	PS51471	Fe(2+) 2-oxoglutarate dioxygenase domain profile.
173	275	InterPro	IPR005123	Oxoglutarate/iron-dependent dioxygenase
2	283	SUPERFAMILY	SSF51197	Clavaminate synthase-like
7	282	PANTHER	PTHR47990	2-OXOGLUTARATE (2OG) AND FE(II)-DEPENDENT OXYGENASE SUPERFAMILY PROTEIN-RELATED
1	321	Gene3D	G3DSA:2.60.120.330	-
1	321	InterPro	IPR027443	Isopenicillin N synthase-like superfamily
6	128	Pfam	PF14226	non-haem dioxygenase in morphine synthesis N-terminal
6	128	InterPro	IPR026992	Non-haem dioxygenase N-terminal domain
234	260	PRINTS	PR00682	Isopenicillin N synthase signature
27	44	PRINTS	PR00682	Isopenicillin N synthase signature
198	219	PRINTS	PR00682	Isopenicillin N synthase signature
176	273	Pfam	PF03171	2OG-Fe(II) oxygenase superfamily
176	273	InterPro	IPR044861	Isopenicillin N synthase-like, Fe(2+) 2OG dioxygenase 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...

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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_A0A0H3GTB3	AlphaFold	—	—	full sequence	—	Viewing
ColabFold KP13_05238	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				0.576
20				0.208
16				0.123
23				0.059

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				54.39	0.973
2				1.57	0.02

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				0.467
16				0.157
18				0.132
23				0.018

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				65.01	0.986

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.

58 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
1AC	5TCV	Q08506	101.1 Da LogP -0.44 TPSA 63.3	✓ Ro5	✓ Clean	`C1CC1(C(=O)O)N`
AKG	5O9W	D4N500	146.1 Da LogP -0.50 TPSA 91.7	✓ Ro5	✓ Clean	`C(CC(=O)O)C(=O)C(=O)O`
FYU	5C3S	Q7RYZ9	140.1 Da LogP -1.12 TPSA 82.8	✓ Ro5	✓ Clean	`C1=C(C(=O)NC(=O)N1)C=O`
HMU	5C3R	Q7RYZ9	142.1 Da LogP -1.44 TPSA 86.0	✓ Ro5	✓ Clean	`C1=C(C(=O)NC(=O)N1)CO`
J5X	7EKD	Q9FU53	316.4 Da LogP 3.17 TPSA 63.6	✓ Ro5	✓ Clean	`C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[…`
SIN	5O7Y	D4N500	118.1 Da LogP -0.06 TPSA 74.6	✓ Ro5	✓ Clean	`C(CC(=O)O)C(=O)O`
TDR	5C3Q	Q7RYZ9	126.1 Da LogP -0.63 TPSA 65.7	✓ Ro5	✓ Clean	`CC1=CNC(=O)NC1=O`
YT3	6XJJ	B8M9K5	88.9 Da LogP -0.00 TPSA 0.0	✓ Ro5	✓ Clean	`[Y+3]`

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
ZINC4964174	1.000	202.2 Da LogP -0.88 TPSA 126.6	✓ Ro5	✓ Clean	`NC1(C(=O)O)CCC(N)(C(=O)O)CC1`
ZINC32167749	0.796	330.4 Da LogP 3.25 TPSA 52.6	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(…`
ZINC19433130	0.722	227.3 Da LogP 3.07 TPSA 63.3	✓ Ro5	✓ Clean	`NC1(C(=O)O)CCCCCCCCCCC1`
ZINC100043107	0.696	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@…`
ZINC100067115	0.696	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@…`
ZINC253596476	0.696	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CC[C@H](O)[C…`
ZINC253596477	0.696	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CC[C@H](O)[C…`
ZINC253596478	0.696	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CC[C@H](O)[C…`
ZINC253596479	0.696	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12CC[C@H](O)[C…`
ZINC4102247	0.696	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@…`
ZINC230080324	0.679	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC252515387	0.679	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC252515388	0.679	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC252515389	0.679	332.4 Da LogP 2.14 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC2511705	0.636	201.2 Da LogP 0.09 TPSA 81.8	✓ Ro5	✓ Clean	`NC1(C(=O)O)CCC2(CC1)OCCO2`
ZINC68576964	0.636	226.2 Da LogP 0.60 TPSA 89.3	✓ Ro5	✓ Clean	`NC1(C(=O)O)CCC(N)(C(F)(F)F)CC1`
ZINC5113062	0.615	272.4 Da LogP 4.23 TPSA 74.6	✓ Ro5	✓ Clean	`O=C(O)CCCCCCCCCCCCCC(=O)O`
ZINC62714228	0.613	202.2 Da LogP -0.71 TPSA 85.9	✓ Ro5	✓ Clean	`O=c1[nH]cc(CSCCO)c(=O)[nH]1`
ZINC68576962	0.609	227.2 Da LogP 0.64 TPSA 83.6	✓ Ro5	✓ Clean	`NC1(C(=O)O)CCC(O)(C(F)(F)F)CC1`
ZINC57050	0.607	217.0 Da LogP 0.43 TPSA 65.7	✓ Ro5	✓ Clean	`O=c1[nH]cc(/C=C/Br)c(=O)[nH]1`
ZINC1682039	0.594	229.2 Da LogP -2.15 TPSA 109.4	✓ Ro5	✓ Clean	`O=c1[nH]cc(CN(CCO)CCO)c(=O)[nH]1`
ZINC1615551	0.586	314.3 Da LogP -2.45 TPSA 165.6	✓ Ro5	✓ Clean	`O=c1[nH]cc(CS(=O)(=O)Cc2c[nH]c(=O)[nH]c2=O)c(=O…`
ZINC253393607	0.567	364.4 Da LogP 0.08 TPSA 124.3	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC253393611	0.567	364.4 Da LogP 0.08 TPSA 124.3	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC253393612	0.567	364.4 Da LogP 0.08 TPSA 124.3	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC253393616	0.567	364.4 Da LogP 0.08 TPSA 124.3	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC95095499	0.567	279.3 Da LogP -1.93 TPSA 134.7	✓ Ro5	✓ Clean	`CN(Cc1c[nH]c(=O)[nH]c1=O)Cc1c[nH]c(=O)[nH]c1=O`
ZINC252517066	0.557	348.4 Da LogP 1.11 TPSA 104.1	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC252517067	0.557	348.4 Da LogP 1.11 TPSA 104.1	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)…`
ZINC252517068	0.557	348.4 Da LogP 1.11 TPSA 104.1	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12OC(=O)[C@@](…`
ZINC252517069	0.557	348.4 Da LogP 1.11 TPSA 104.1	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]12OC(=O)[C@](C)…`
ZINC3682955	0.545	218.2 Da LogP 0.36 TPSA 85.9	✓ Ro5	✓ Clean	`O=c1[nH]cc(Cc2ccc(O)cc2)c(=O)[nH]1`
ZINC100067109	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@@H]1CC[C@H]2[C@@]12C=C[C@H](O)[C…`
ZINC100067110	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@@H]1CC[C@H]2[C@@]12C=C[C@H](O)[C…`
ZINC100067113	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C=C[C@H](O)[C@…`
ZINC13534655	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C=C[C@H](O)[C@…`
ZINC223566858	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@H]2[C@@]12C=C[C@H](O)[C…`
ZINC257539628	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12C=C[C@H](O)[…`
ZINC257539629	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12C=C[C@H](O)[…`
ZINC257539630	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12C=C[C@H](O)[…`
ZINC257539631	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@@]12C=C[C@H](O)[…`
ZINC4102250	0.540	330.4 Da LogP 1.91 TPSA 83.8	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C=C[C@H](O)[C@…`
ZINC44138834	0.533	202.2 Da LogP 1.04 TPSA 65.7	✓ Ro5	✓ Clean	`Cc1ccccc1-c1c[nH]c(=O)[nH]c1=O`
ZINC1670654	0.531	202.2 Da LogP 0.65 TPSA 65.7	✓ Ro5	✓ Clean	`O=c1[nH]cc(Cc2ccccc2)c(=O)[nH]1`
ZINC100053590	0.524	217.2 Da LogP -1.04 TPSA 137.9	✓ Ro5	✓ Clean	`N[C@]1(C(=O)O)C[C@H](C(=O)O)[C@H](C(=O)O)C1`
ZINC100763462	0.524	217.2 Da LogP -1.04 TPSA 137.9	✓ Ro5	✓ Clean	`N[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](C(=O)O)C1`
ZINC1092752	0.520	238.0 Da LogP -0.33 TPSA 65.7	✓ Ro5	✓ Clean	`O=c1[nH]cc(I)c(=O)[nH]1`
ZINC82862625	0.520	211.2 Da LogP 1.52 TPSA 63.3	✓ Ro5	✓ Clean	`NC1(C(=O)O)CCC(C(F)(F)F)CC1`
ZINC953109649	0.520	211.2 Da LogP 1.52 TPSA 63.3	✓ Ro5	✓ Clean	`N[C@]1(C(=O)O)CC[C@H](C(F)(F)F)CC1`
ZINC4102241	0.517	348.4 Da LogP 2.93 TPSA 94.8	✓ Ro5	✓ Clean	`C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CC[C@H](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.