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PEPDIA-INT-018107

Gold

Caseicin A

85

Quality

3

Source DBs

24

Activities

5

Source refs

5

Literature

0

Patents

Integrated record

Sequence and molecular profile

IKHQGLPQE
Indexed sequence9 aa
1IKHQGLPQE

Length

9

Molecular weight

1049.20 Da

Formula

C46H76N14O14

Structure type

-

Synthesis

Synthetic

Chirality

-

Family

-

Gene

-

Residue composition

Q
2
I
1
K
1
H
1
G
1
L
1
P
1
E
1

Physicochemical profile

Hydrophobic2

Membrane affinity proxy

Polar2

Solubility proxy

Charged3

Net charge proxy +1

Aromatic1

Binding interaction proxy

Versioned scientific descriptors

Physicochemical properties and standard representations

calculated sequence and structure

Reported properties

Legacy compatibility fields are materialized from the versioned PepDiana computed release; no separate source-reported property is available.

Computed properties

physchem-20260620

Molecular weight

1049.181 Da

Molecular formula

C46H76N14O14

Theoretical pI

6.7638

Net charge at pH 7

-0.1457

GRAVY

-1.2556

Instability index

63.6556

Aromaticity

0

Topological polar surface area

465.51 Ų

cLogP

-4.0029

Hydrogen-bond donors

14

Hydrogen-bond acceptors

15

Rotatable bonds

35

Method: PepDiana sequence/structure descriptor pipeline

Tool: Biopython+RDKit · Biopython 1.85; RDKit 2024.09.6

Calculated: 2026-06-20T11:01:38.358971+00:00

Assumptions: ph=7; termini=free N-terminus and free C-terminus for simple linear peptides; stereochemistry=standard L-amino acids; smiles_length_limit=200

Sequence representations

representations-20260620 · RDKit 2024.09.6

ProForma 2.0

validated simple linear

IKHQGLPQE

HELM 2.0

validated simple linear

PEPTIDE1{I.K.H.Q.G.L.P.Q.E}$$$$V2.0

Canonical SMILES

validated

CCC(C)C(N)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

validated

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Follow-up research

External analysis tools

Run BLASTPSearch similar protein or peptide sequences at NCBI.Search UniProtLook for related UniProtKB entries using the sequence.Search PubMedFind literature context for this peptide record.Search PubChemOpen chemistry search with the canonical SMILES string.

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Research workflow

Citation and local history

BibTeX

@misc{PEPDIA-INT-018107,
  title = {Caseicin A},
  author = {{PepDiana Consortium}},
  year = {2026},
  howpublished = {PepDiana Multifunctional Peptide Database},
  url = {http://127.0.0.1:3004/peptides/PEPDIA-INT-018107},
  note = {Accessed from local PepDiana development build}
}

APA-style note

Caseicin A. (2026). PepDiana record PEPDIA-INT-018107. PepDiana Multifunctional Peptide Database. http://127.0.0.1:3004/peptides/PEPDIA-INT-018107

This record is saved to local recent-view history so it can reappear on the peptide browser page.

Integrated source-database annotations

Biological activity (24 records)

Stable recordActivitySubtypeValueTargetAssay methodSource
CTPDB_P018107_ACT_camp_0000AntimicrobialAntibacterialNot available for this observationUnknownNot reported by sourceCAMPSQ19444camp / linked
CTPDB_P018107_ACT_camp_0001AntimicrobialAnti-Gram-Not available for this observationUnknownNot reported by sourceCAMPSQ19444camp / linked
CTPDB_P018107_ACT_dbaasp_0002Antimicrobial-625 µMCronobacter sakazakii DPC 6440Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0003Antimicrobial-625 µMCronobacter sakazakii DSM 4485Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0004Antimicrobial-625 µMCronobacter sakazakii ATCC BAA-894Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0005Antimicrobial-625 µMCronobacter muytjensii ATCC 51329Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0006Antimicrobial-1250 µMSalmonella enterica subsp. enterica serovar Typhimurium LT2Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0007Antimicrobial-1250 µMEscherichia coli NCIMB 11843Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0008Antimicrobial-1250 µMKlebsiella pneumoniae NCIMB 13218Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0009Antimicrobial-1250 µMPseudomonas fluorescens NCIMB 9046Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0010Antimicrobial-1250 µMStaphylococcus aureus NCTC 8325-4Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0011Antimicrobial-1250 µMStaphylococcus aureus SA113Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0012Antimicrobial-1250 µMStaphylococcus aureus RF122Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0013Antimicrobial-1250 µMStaphylococcus aureus NewmanNot reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0014Antimicrobial-1250 µMStaphylococcus aureus RN4220Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0015Antimicrobial-2000 µg/mlEscherichia coli O157:H7Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0016Antimicrobial-1000 µg/mlListeria monocytogenes NCTC 11994Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0017Antimicrobial-2000 µg/mlSalmonella enterica subsp. enterica serovar Typhimurium DT104Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0018Antimicrobial-1000 µg/mlPseudomonas putida ATCC 49128Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0019Antimicrobial-2000 µg/mlStaphylococcus aureus NCTC 7428Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_dbaasp_0020Antimicrobial-2000 µg/mlEscherichia coli O111Not reported by sourceDBAASPS_1110_chain0dbaasp / linked
CTPDB_P018107_ACT_fermfoodb_0021Antimicrobial-0.05 mMUnknownMALDI-TOF-MSFermFooDB_Casein_FMDB883fermfoodb / linked
CTPDB_P018107_ACT_fermfoodb_0022Antimicrobial-Not available for this observationUnknownMALDI-TOF-MSFermFooDB_Casein_FMDB886fermfoodb / linked
CTPDB_P018107_ACT_fermfoodb_0023Antimicrobial-Not available for this observationUnknownMALDI-TOF-MSFermFooDB_Casein_FMDB888fermfoodb / linked

Provenance

Source database records (5)

camp

CAMPSQ19444

Raw sequence

IKHQGLPQE

dbaasp

DBAASPS_1110_chain0

Raw sequence

IKHQGLPQE

fermfoodb

FermFooDB_Casein_FMDB883

Raw sequence

IKHQGLPQE

fermfoodb

FermFooDB_Casein_FMDB886

Raw sequence

IKHQGLPQE

fermfoodb

FermFooDB_Casein_FMDB888

Raw sequence

IKHQGLPQE

Citation trail

Literature (5 records)

Audit surface

Raw annotations and release metadata

Integrated record last updated: 2026-04-15T00:59:15.996896+00:00

Modification summary

No structured modification annotations are available for this record.

Source metadata
[
  {
    "source_db": "camp",
    "organism_name": "Unknown"
  },
  {
    "source_db": "dbaasp",
    "organism_name": "Unknown"
  },
  {
    "source_db": "fermfoodb",
    "organism_name": "Unknown"
  }
]