ProForma 2.0
validated simple linear
YCQKFLWTCDTERKCCEDMVCELWCKLEK
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PEPDIA-INT-038729
SilverPepDiana tier derived from the internal quality score plus activity and literature coverage; it is not an external database rating.κ-theraphotoxin-Ec2a
70
Quality PepDiana 0–100 composite of sequence, source, activity, literature, and cross-database evidence completeness.
3
Source DBs
4
Activities
3
Source refs
0
Literature
0
Patents
Integrated record
Sequence and molecular profile
YCQKFLWTCDTERKCCEDMVCELWCKLEK
Indexed sequence29 aa
1YCQKFLWTCDTERKCCEDMVCELWCKLEK
Length
29
Molecular weight
3635.35 Da
Formula
C157H241N39O46S7
Structure type
Linear
Synthesis
-
Chirality
-
Family
-
Gene
-
Residue composition
C
6
K
4
E
4
L
3
W
2
T
2
D
2
Y
1
Q
1
F
1
R
1
M
1
Physicochemical profile
Hydrophobic9
Membrane affinity proxy
Polar9
Solubility proxy
Charged11
Net charge proxy -1
Aromatic4
Binding interaction proxy
Versioned scientific descriptors
Physicochemical properties and standard representations
Reported properties
Legacy compatibility fields are materialized from the versioned PepDiana computed release; no separate source-reported property is available.
Computed properties
physchem-20260620Molecular weight
3635.282 Da
Molecular formula
C157H241N39O46S7
Theoretical pI
5.0559
Net charge at pH 7
-1.2908
GRAVY
-0.4759
Instability index
30.0172
Aromaticity
0.1379
Topological polar surface area
1403.26 Ų
cLogP
-9.0471
Hydrogen-bond donors
55
Hydrogen-bond acceptors
52
Rotatable bonds
122
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
HELM 2.0
validated simple linear
PEPTIDE1{Y.C.Q.K.F.L.W.T.C.D.T.E.R.K.C.C.E.D.M.V.C.E.L.W.C.K.L.E.K}$$$$V2.0
Canonical SMILES
validated
CSCCC(NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(CS)NC(=O)C(N)Cc1ccc(O)cc1)C(C)O)C(C)O)C(=O)NC(C(=O)NC(CS)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)O)C(C)C
Isomeric SMILES
validated
CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C
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.
Links open third-party resources with the current PepDiana sequence, record name, or chemistry notation as the initial query.
Research workflow
Citation and local history
BibTeX
@misc{PEPDIA-INT-038729,
title = {κ-theraphotoxin-Ec2a},
author = {{PepDiana Consortium}},
year = {2026},
howpublished = {PepDiana Multifunctional Peptide Database},
url = {http://127.0.0.1:3004/peptides/PEPDIA-INT-038729},
note = {Accessed from local PepDiana development build}
}APA-style note
κ-theraphotoxin-Ec2a. (2026). PepDiana record PEPDIA-INT-038729. PepDiana Multifunctional Peptide Database. http://127.0.0.1:3004/peptides/PEPDIA-INT-038729
This record is saved to local recent-view history so it can reappear on the peptide browser page.
Integrated source-database annotations
Biological activity (4 records)
| Stable record | Activity | Subtype | Value | Target | Assay method | Source |
|---|---|---|---|---|---|---|
| CTPDB_P038729_ACT_arachnoserver_0000 | Neuroactive/Ion Channel | Neurotoxin | Not available in the current structured import | Unknown | Not reported by source | 773arachnoserver / linked |
| CTPDB_P038729_ACT_kalium_0001 | Neuroactive/Ion Channel | Ion Channel Modulator | Not available in the current structured import | Kv | Not reported by source | 1742kalium / linked |
| CTPDB_P038729_ACT_kalium_0002 | Neuroactive/Ion Channel | Ion Channel Modulator | 3.7 nM | [KCa1.1](https://www.guidetopharmacology.org/GRAC/ObjectDisplayForward?objectId=380) | Not reported by source | 1742kalium / linked |
| CTPDB_P038729_ACT_satpdb_0003 | Toxicity | General Toxic | Not available in the current structured import | Unknown | Not reported by source | satpdb15345satpdb / linked |
Provenance
Source database records (3)
Audit surface
Raw annotations and release metadata
Integrated record last updated: 2026-04-15T00:59:12.895314+00:00
Modification summary
No structured modification annotations are available for this record.
Source metadata
[
{
"source_db": "arachnoserver",
"organism_name": "Unknown"
},
{
"source_db": "kalium",
"organism_name": "Unknown"
},
{
"source_db": "satpdb",
"organism_name": "Unknown"
}
]Structure metadata
{
"source_db": "satpdb",
"dssp_states": "CCCCCCSCCSSSCSTTTCSSHHHHTTSCC"
}