Protein profile

KP13_03565

Rhizopine catabolism protein mocC

Genome: KpKP13

Gene: AHE45907.1 mocC Structure source: AlphaFold + ColabFold UniProt A0A0H3GP46
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Amino acids 297
Annotations 0
Features 8
PDB binders 0
Druggability 0.923

Overview

Basic information about this protein and its source genome.

Accession
KP13_03565
Assembly
Klebsiella pneumoniae subsp. pneumoniae Kp13, complete sequence
Gene
AHE45907.1 mocC
Status
annotated
Amino acids
297
Structure source
AlphaFold + ColabFold

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
96.09

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 0.923
Structure A0A0H3GP46
Pocket Pocket 1
P2Rank 0.857
Structure A0A0H3GP46
Pocket Pocket 1
ColabFold model
FPocket 0.87 · Pocket 1
P2Rank 0.879 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 6 / 4744 genomes with a hit
Normalized 0.001

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

No GO or EC annotations are currently loaded for this protein.

Sequence Features

Domain/signature hits from InterPro and related databases.

8 records
Show feature table
Start End DB Term Name
1 287 Gene3D G3DSA:3.20.20.150 -
17 282 PANTHER PTHR12110 HYDROXYPYRUVATE ISOMERASE
2 285 NCBIfam TIGR04379 myo-inosose-2 dehydratase
2 285 InterPro IPR030823 IolE/MocC family
24 283 Pfam PF01261 Xylose isomerase-like TIM barrel
24 283 InterPro IPR013022 Xylose isomerase-like, TIM barrel domain
3 286 SUPERFAMILY SSF51658 Xylose isomerase-like
3 286 InterPro IPR036237 Xylose isomerase-like superfamily

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...

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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_A0A0H3GP46
AlphaFold — — full sequence — Viewing
ColabFold KP13_03565
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
1 0.923

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 16.98 0.793
2 1.21 0.011

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.

17 records

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

Show only:
Ligand Tanimoto MW · LogP · TPSA Lipinski PAINS SMILES
ZINC1532902 0.700 206.2 Da LogP -0.86 TPSA 132.1 ✓ Ro5 ✓ Clean O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
ZINC2018106 0.700 206.2 Da LogP -0.86 TPSA 132.1 ✓ Ro5 ✓ Clean O=C(O)CC[C@](O)(CC(=O)O)C(=O)O
ZINC3593496 0.652 206.2 Da LogP -1.16 TPSA 121.1 ✓ Ro5 ✓ Clean COC(=O)C[C@@](O)(CC(=O)O)C(=O)O
ZINC3593497 0.652 206.2 Da LogP -1.16 TPSA 121.1 ✓ Ro5 ✓ Clean COC(=O)C[C@](O)(CC(=O)O)C(=O)O
ZINC14686440 0.625 436.4 Da LogP -2.64 TPSA 247.9 1 viol. ✓ Clean O=C(O)C[C@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=O…
ZINC14686442 0.625 436.4 Da LogP -2.64 TPSA 247.9 1 viol. ✓ Clean O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@](O)(CC(=O…
ZINC14686444 0.625 436.4 Da LogP -2.64 TPSA 247.9 1 viol. ✓ Clean O=C(O)C[C@@](O)(CC(=O)NCCCCNC(=O)C[C@@](O)(CC(=…
ZINC13398039 0.577 234.2 Da LogP -0.38 TPSA 121.1 ✓ Ro5 ✓ Clean CC(C)OC(=O)C[C@](O)(CC(=O)O)C(=O)O
ZINC2528012 0.577 234.2 Da LogP -0.38 TPSA 121.1 ✓ Ro5 ✓ Clean CC(C)OC(=O)C[C@@](O)(CC(=O)O)C(=O)O
ZINC146315135 0.560 204.2 Da LogP 0.86 TPSA 94.8 ✓ Ro5 ✓ Clean CCCCC[C@@](O)(CC(=O)O)C(=O)O
ZINC146315336 0.560 204.2 Da LogP 0.86 TPSA 94.8 ✓ Ro5 ✓ Clean CCCCC[C@](O)(CC(=O)O)C(=O)O
ZINC1850353 0.556 206.1 Da LogP -0.86 TPSA 132.1 ✓ Ro5 ✓ Clean O=C(O)CC(O)(CC(=O)O)CC(=O)O
ZINC13398014 0.522 220.2 Da LogP -1.07 TPSA 110.1 ✓ Ro5 ✓ Clean COC(=O)CC(O)(CC(=O)OC)C(=O)O
ZINC3861629 0.522 206.1 Da LogP -1.16 TPSA 121.1 ✓ Ro5 ✓ Clean COC(=O)C(O)(CC(=O)O)CC(=O)O
ZINC100969993 0.500 359.5 Da LogP 2.70 TPSA 123.9 ✓ Ro5 ✓ Clean CCCCCCCCCCCCNC(=O)C[C@](O)(CC(=O)O)C(=O)O
ZINC100969996 0.500 359.5 Da LogP 2.70 TPSA 123.9 ✓ Ro5 ✓ Clean CCCCCCCCCCCCNC(=O)C[C@@](O)(CC(=O)O)C(=O)O
ZINC1711854 0.500 248.2 Da LogP -0.13 TPSA 149.2 ✓ Ro5 ✓ Clean O=C(O)CC(CC(=O)O)(CC(=O)O)CC(=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.