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CASTp specifications


Unique identifier OMICS_08121
Name CASTp
Interface Web user interface
Restrictions to use None
Input format PDB
Output data You will receive five files in email for the calculated results: pocket information file, pocket atoms, mouth atoms, and a script file for visualization using rasmol.
Computer skills Basic
Stability Stable
Maintained Yes

Publications for CASTp

CASTp citations


Ofatumumab Monoclonal Antibody Affinity Maturation Through in silico Modeling

PMCID: 5889503
DOI: 10.22034/ibj.22.3.180

[…] other proteins[]., ghecom (grid-based hecomi finder; is a software for finding multi-scale pockets on protein surfaces using mathematical morphology[]. castp server[] ( uses the weighted delaunay triangulation and the alpha complex for shape measurements. it provides identification and measurements of surface […]


Titanium dioxide nanoparticle–protein interaction explained by docking approach

PMCID: 5863628
PMID: 29593394
DOI: 10.2147/IJN.S125008

[…] interaction of titanium dioxide with proteins. different cellular proteins were sorted to study the interaction, binding sites, and active sites as a pocket. these pockets have been determined using castp – an online server. the analysis for the docked structures was performed with regard to the most efficient binding with amino acids. this study is the first of its kind to report […]


Crystal structure of IspF from Bacillus subtilis and absence of protein complex assembly amongst IspD/IspE/IspF enzymes in the MEP pathway

Biosci Rep
PMCID: 5821942
PMID: 29335298
DOI: 10.1042/BSR20171370

[…] μl; meanwhile, adding the 1 mm mgcl2, 1 mm mep, and 1 mm ctp if the ispd was present in the reaction system. the reaction was incubated at 30°c for 30 min., the cavity analysis was performed using castp server [], surface calculations were performed by arealmol from ccp4 programs suite []., the atomic co-ordinates and structure factors have been deposited in the protein data bank […]


Structural and Biochemical Characterization of BdsA from Bacillus subtilis WU S2B, a Key Enzyme in the “4S” Desulfurization Pathway

Front Microbiol
PMCID: 5819316
PMID: 29497411
DOI: 10.3389/fmicb.2018.00231

[…] component of the active pocket, which, along with is1, is2, and is3, controls the size of the pocket. the volume of the active pocket of bdsa, and those of homologous proteins, are calculated using castp server (). the volume of the bdsa activity pocket is 5134.9 å3. nitrilotriacetate monooxygenase catalyzes the degradation of the nitrilotriacetate substrate, with the active pocket volume […]


The structure of FIV reverse transcriptase and its implications for non nucleoside inhibitor resistance

PLoS Pathog
PMCID: 5798851
PMID: 29364950
DOI: 10.1371/journal.ppat.1006849

[…] using espript []. pymol molecular graphics system (schrödinger, llc) was used for preparing structural figures and for structural superposition. comparative pocket volumes were analyzed using the castp server [] using hiv-1 rt bound to nvp without nucleic acid (pdb code: 5hbm) or bound to nvp with nucleic acid (pdb code: 4puo). both hiv-1 rt structures show comparable volumes validating […]


Alanine mutation of the catalytic sites of Pantothenate Synthetase causes distinct conformational changes in the ATP binding region

Sci Rep
PMCID: 5772511
PMID: 29343701
DOI: 10.1038/s41598-017-19075-2

[…] file in vmd program. binding pocket calculation was performed for wild-type and alanine mutants after the removal of atp from the ps-atp complex (pdb id: 2a84) at the interval of 10 ns using castp server., prime mm/gbsa module of schrodinger suite was used to determine binding strength for atp-ps complexes using molecular mechanics combined with generalized born (mm/gbsa) approach,. […]

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CASTp institution(s)
Program in Bioinformatics, Department of Bioengineering, University of Illinois at Chicago, Chicago, IL, USA

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