Structure of PDB 8fbm Chain B Binding Site BS01

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 IDMYA
InChIInChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1
InChIKeyDUAFKXOFBZQTQE-QSGBVPJFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
ACDLabs 12.01O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
FormulaC35 H62 N7 O17 P3 S
NameTETRADECANOYL-COA;
MYRISTOYL-COA
ChEMBL
DrugBankDB02180
ZINCZINC000195445287
PDB chain8fbm Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		H42 K43 F44 W45 Y109 V110 V174 L177 V179 R184 S185 R187 A189 P190 T197 I200 F206 Q207 S208 Y210 C212 K214 I216 F449
Binding residue
(residue number reindexed from 1)		H2 K3 F4 W5 Y69 V70 V134 L137 V139 R144 S145 R147 A149 P150 T157 I160 F166 Q167 S168 Y170 C172 K174 I176 F409
Annotation score3
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
View graph for
Cellular Component
External links
PDB RCSB:8fbm, PDBe:8fbm, PDBj:8fbm
PDBsum8fbm
PubMed37722671
UniProtQ5CV46

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