Protein profile

VK055_5063

H+ symporter family protein

Genome: KpATCC43816

Gene: AIK83589.1 Structure source: AlphaFold + ColabFold UniProt A0A0H3GQK7
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Amino acids 439
Annotations 4
Features 54
PDB binders 0
Druggability 0.411

Overview

Basic information about this protein and its source genome.

Accession
VK055_5063
Assembly
Klebsiella pneumoniae subsp. pneumoniae strain ATCC 43816 KPPR1, complete genome
Gene
AIK83589.1
Status
annotated
Amino acids
439
Structure source
AlphaFold + ColabFold
GO
GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other. GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

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 (%)
35.431
Localization
CytoplasmicMembrane
ColabFold pLDDT
85.22

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 0.411
Structure A0A0H3GQK7
Pocket Pocket 19
P2Rank 0.823
Structure A0A0H3GQK7
Pocket Pocket 1
ColabFold model
FPocket 0.945 · Pocket 5
P2Rank 0.97 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 52 / 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.

4 GO

Gene Ontology (GO)

4
  • GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
  • GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.

Sequence Features

Domain/signature hits from InterPro and related databases.

54 records
Show feature table
Start End DB Term Name
96 118 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
84 94 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
195 214 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
128 150 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
19 239 FunFam G3DSA:1.20.1250.20:FF:000001 Dicarboxylate MFS transporter
29 426 NCBIfam TIGR00883 metabolite/H+ symporter
29 426 InterPro IPR004736 MFS transporter, metabolite:H symporter
21 237 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
21 237 InterPro IPR036259 MFS transporter superfamily
410 432 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
133 158 ProSitePatterns PS00217 Sugar transport proteins signature 2.
133 158 InterPro IPR005829 Sugar transporter, conserved site
250 438 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
250 438 InterPro IPR036259 MFS transporter superfamily
49 59 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
27 48 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
384 406 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
339 343 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
318 337 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
114 118 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
277 287 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
311 318 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
28 417 Pfam PF00083 Sugar (and other) transporter
28 417 InterPro IPR005828 Major facilitator, sugar transporter-like
139 158 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
289 311 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
215 251 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
434 439 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
22 438 ProSiteProfiles PS50850 Major facilitator superfamily (MFS) profile.
22 438 InterPro IPR020846 Major facilitator superfamily domain
252 276 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
18 437 SUPERFAMILY SSF103473 MFS general substrate transporter
18 437 InterPro IPR036259 MFS transporter superfamily
119 138 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
159 183 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
20 432 CDD cd17369 MFS_ShiA_like
410 414 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
195 214 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
288 310 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
184 194 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
25 47 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
319 338 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
252 274 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
384 409 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
95 113 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
344 364 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
10 435 PANTHER PTHR43045 SHIKIMATE TRANSPORTER
365 383 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
62 84 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 26 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
60 83 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
342 364 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
163 185 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
415 433 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.

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_A0A0H3GQK7
AlphaFold — — full sequence — Viewing
ColabFold VK055_5063
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
19 0.411
20 0.246
9 0.05
26 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 22.19 0.823
2 12.08 0.552
3 7.24 0.317
4 3.1 0.083
5 1.4 0.015

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.

61 records

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

Show only:
Ligand UniProt (homolog) pchembl MW · LogP · TPSA Lipinski PAINS SMILES
CHEMBL790 O15245 6.68 505.5 Da LogP 4.18 TPSA 167.6 2 viol. ✓ Clean N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1c…
CLU O15245 6.26 230.1 Da LogP 2.17 TPSA 36.4 ✓ Ro5 ✓ Clean c1cc(c(c(c1)Cl)N=C2NCCN2)Cl
CHEMBL4062501 O15245 6.05 191.3 Da LogP 1.89 TPSA 64.4 ✓ Ro5 ✓ Clean CC(C)(C)c1ccc(N=C(N)N)cc1
CHEMBL1197556 O15245 6.01 327.5 Da LogP 5.04 TPSA 7.1 1 viol. Alert CCN1/C(=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21
7BA O15245 — 316.4 Da LogP 3.60 TPSA 57.2 ✓ Ro5 ✓ Clean COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC
CHEMBL1206 O15245 — 312.5 Da LogP 5.02 TPSA 6.5 1 viol. Alert CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
CHEMBL21640 O15245 — 223.3 Da LogP 3.12 TPSA 12.0 ✓ Ro5 ✓ Clean c1ccc(CC2NCCc3ccccc32)cc1
CHEMBL2425619 O15245 — 218.1 Da LogP -1.11 TPSA 0.0 ✓ Ro5 ✓ Clean C[14CH2][N+]([14CH2]C)([14CH2]C)[14CH2]C.[Br-]
CHEMBL461101 O15245 — 442.5 Da LogP 4.56 TPSA 114.6 ✓ Ro5 Alert CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2ccc…
CHEMBL9324 O15245 — 130.3 Da LogP 1.88 TPSA 0.0 ✓ Ro5 ✓ Clean CC[N+](CC)(CC)CC
THA O15245 — 198.3 Da LogP 2.70 TPSA 38.9 ✓ Ro5 ✓ Clean c1ccc2c(c1)c(c3c(n2)CCCC3)N

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.