Structure of PDB 8fbu Chain A Binding Site BS02

Receptor Information
>8fbu Chain A (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 IDXOL
InChIInChI=1S/C21H20N6OS/c28-20(26-21-23-10-13-29-21)15-5-3-6-16-18(15)25-19(24-16)14-4-1-2-7-17(14)27-11-8-22-9-12-27/h1-7,10,13,22H,8-9,11-12H2,(H,24,25)(H,23,26,28)
InChIKeyIXJIKFKXRZPAPB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(Nc1sccn1)c2cccc3[nH]c(nc23)c4ccccc4N5CCNCC5
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2[nH]c3cccc(c3n2)C(=O)Nc4nccs4)N5CCNCC5
ACDLabs 12.01O=C(Nc1nccs1)c1cccc2[NH]c(nc12)c1ccccc1N1CCNCC1
FormulaC21 H20 N6 O S
Name(2M)-2-[2-(piperazin-1-yl)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8fbu Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8fbu Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F119 Y225 H227 F240 I386 I388 Y390 N421 T422 L423
Binding residue
(residue number reindexed from 1)		F79 Y185 H187 F200 I346 I348 Y350 N381 T382 L383
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8fbu, PDBe:8fbu, PDBj:8fbu
PDBsum8fbu
PubMed37722671
UniProtQ5CV46

[Back to BioLiP]