Structure of PDB 8fbm Chain B Binding Site BS02

Receptor Information
>8fbm Chain B (length=426) Species: 353152 (Cryptosporidium parvum Iowa II) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHKFWNTQPVVQNDDSSSEYSFGPIEIEPDSFRKEIYKLPDGFSWFDCNL
WDIESQDFEDTYQLLKDHYVEDDDSQFRFNYSKEFLRWALCVPGQKKNWL
VGVRVNETKKMVGFISAIPIKVRIHNCIMNTSVVNFLCVHKKLRSKRLAP
VLIKEITRRIRCEKIFQSIYTCGKNITKPFTIGTYWHRIINVKKLLEAGF
IGIPRNMTMSSLIKYHRIPADKRIEGFRPSVDSDAEQICKLFENYFMKYK
DVSNETMNNLINYDEINHSKELGKQAYMKLDKIEDLQDKITIHQCFNVED
VKHYFTNIDKVIVTYVRENKNKEITDLFSFFIIESTVINNERFPTINIAY
SYFNIANTCSLKELFNEMLITAKNNNCDAFNTLDLMQNLQVIQDSKFIIG
TGRLRYYVFNWKIPQISPSNVGIILF
Ligand information
Ligand IDXOF
InChIInChI=1S/C25H24ClN3O4S/c1-2-29(18-9-4-3-5-10-18)34(32,33)19-14-15-21(26)20(17-19)25(31)27-22-11-6-7-12-23(22)28-16-8-13-24(28)30/h3-7,9-12,14-15,17H,2,8,13,16H2,1H3,(H,27,31)
InChIKeyDXAJOSDSBRJHSK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CCN(c1ccccc1)S(=O)(=O)c1cc(c(Cl)cc1)C(=O)Nc1ccccc1N1CCCC1=O
CACTVS 3.385CCN(c1ccccc1)[S](=O)(=O)c2ccc(Cl)c(c2)C(=O)Nc3ccccc3N4CCCC4=O
OpenEye OEToolkits 2.0.7CCN(c1ccccc1)S(=O)(=O)c2ccc(c(c2)C(=O)Nc3ccccc3N4CCCC4=O)Cl
FormulaC25 H24 Cl N3 O4 S
Name2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
ChEMBLCHEMBL4470819
DrugBank
ZINCZINC000009725997
PDB chain8fbm Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8fbm Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V110 D112 F117 F119 Y121 Y225 S375 Y390 N421 G442 R443 L444 F466
Binding residue
(residue number reindexed from 1)		V70 D72 F77 F79 Y81 Y185 S335 Y350 N381 G402 R403 L404 F426
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.97: glycylpeptide N-tetradecanoyltransferase.
Gene Ontology
Molecular Function
GO:0004379 glycylpeptide N-tetradecanoyltransferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0006499 N-terminal protein myristoylation
GO:0018008 N-terminal peptidyl-glycine N-myristoylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fbm, PDBe:8fbm, PDBj:8fbm
PDBsum8fbm
PubMed37722671
UniProtQ5CV46

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