Protein profile

KP13_02998

Molybdate-binding periplasmic protein

Genome: KpKP13

Gene: AHE45619.1 modA Structure source: Experimental + ColabFold UniProt A0A0H3GU89
Export view
Amino acids 257
Annotations 5
Features 18
PDB binders 5
Druggability 0.329

Overview

Basic information about this protein and its source genome.

Accession
KP13_02998
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45619.1 modA
Status
annotated
Amino acids
257
Structure source
Experimental + ColabFold
GO
GO:0015689 The directed movement of molybdate (MoO4 2-) ions into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Molybdate is the bivalent anion derived from molybdic acid. GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall. GO:0046872 Binding to a metal ion. GO:0030973 Binding to a molybdate ion (MoO4 2-). GO:1901359 Binding to tungstate.

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
Periplasmic
ColabFold pLDDT
93.02

Selected Druggability evidence

PDB experimental structure

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 0.329
Structure 8K8K
Pocket Pocket 10
P2Rank 0.402
Structure 8K8K
Pocket Pocket 1
ColabFold model
FPocket 0.237 · Pocket 2
P2Rank 0.019 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 132 / 4744 genomes with a hit
Normalized 0.028

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:0015689 The directed movement of molybdate (MoO4 2-) ions into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Molybdate is the bivalent anion derived from molybdic acid.
  • GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
  • GO:0046872 Binding to a metal ion.
  • GO:0030973 Binding to a molybdate ion (MoO4 2-).
  • GO:1901359 Binding to tungstate.

Sequence Features

Domain/signature hits from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
20 24 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
1 24 SignalP_GRAM_NEGATIVE SignalP-noTM SignalP-noTM
1 7 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
2 257 PIRSF PIRSF004846 ModA
2 257 InterPro IPR005950 Molybdate ABC transporter, substrate-binding protein
34 253 NCBIfam TIGR01256 molybdate ABC transporter substrate-binding protein
34 253 InterPro IPR005950 Molybdate ABC transporter, substrate-binding protein
28 255 CDD cd13536 PBP2_EcModA
29 255 Pfam PF13531 Bacterial extracellular solute-binding protein
28 255 SUPERFAMILY SSF53850 Periplasmic binding protein-like II
107 218 FunFam G3DSA:3.40.190.10:FF:000035 Molybdate ABC transporter substrate-binding protein
107 218 Gene3D G3DSA:3.40.190.10 -
1 24 Phobius SIGNAL_PEPTIDE Signal peptide region
30 254 Gene3D G3DSA:3.40.190.10 -
25 257 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
22 255 PANTHER PTHR30632 MOLYBDATE-BINDING PERIPLASMIC PROTEIN
8 19 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 24 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM

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...

Legend High Medium Low

Structural evidence

2 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
PDB 8K8L
X-ray 1.77 Å A
100.0% 1-257
PDBe RCSB PDBj File
Viewing
PDB 8K8K
X-ray 1.99 Å A
100.0% 1-257
PDBe RCSB PDBj File
Loaded
ColabFold KP13_02998
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
3 0.301

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 6.94 0.358
2 1.32 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.

5 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
CQ4
4XXU
P37329 116.0 Da LogP -2.62 TPSA 80.3 ✓ Ro5 ✓ Clean [O-][Cr](=O)(=O)[O-]
MOO
1AMF
P37329 159.9 Da LogP -2.62 TPSA 80.3 ✓ Ro5 ✓ Clean [O-][Mo](=O)(=O)[O-]
REO
3AXF
P37329 250.2 Da LogP -1.55 TPSA 74.3 ✓ Ro5 ✓ Clean [O-][Re](=O)(=O)=O
SBT
4KD5
Q18A64 74.1 Da LogP 0.78 TPSA 20.2 ✓ Ro5 ✓ Clean CC[C@H](C)O
WO4
1WOD
P37329 247.8 Da LogP -2.62 TPSA 80.3 ✓ Ro5 ✓ Clean [O-][W](=O)(=O)[O-]

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.