Structure of PDB 7c3o Chain A Binding Site BS01

Receptor Information
>7c3o Chain A (length=316) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLPPDILQNGEFETIYFQTNPTYIKSPIHIPKSTIGKPDTVKIRHFFALL
HQDLVVLGLEVFVYLQIYSDFVEKYVYVSKCDTVGLEKSTIKIGKVIGPV
LQYIINYNGYKIKMKNIEYRTLPKTQNLRLCVFTKPAKEYLFPNSAKNPY
KNLLNGQSLLRWWISIIDSITKGWNNHKLMIPGADKWATRKFIEKYSDWS
EGHIFKKDGLAVQAIPLFPDDPKGRFLELVIVECRYGKMTVSRFYQELAY
RQEFLLGDCVSLIGCCKENLEVTYHDDLVSTVTISEYKEFMNLLKLVDFS
DRVEVSNFVSNYRKSK
Ligand information
Ligand IDACO
InChIInChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
InChIKeyZSLZBFCDCINBPY-ZSJPKINUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
CACTVS 3.341CC(=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
ACDLabs 10.04O=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)C
CACTVS 3.341CC(=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 1.5.0CC(=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
FormulaC23 H38 N7 O17 P3 S
NameACETYL COENZYME *A
ChEMBLCHEMBL1230809
DrugBank
ZINCZINC000008551095
PDB chain7c3o Chain A Residue 401 [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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PDB7c3o Crystal structure of TT109 from CANDIDA ALBICANS
Resolution1.89 Å
Binding residue
(original residue number in PDB)		C81 D82 T83 K92 I93 F176 K178 A180 Y183 N195 L197 L202
Binding residue
(residue number reindexed from 1)		C81 D82 T83 K92 I93 F133 K135 A137 Y140 N152 L154 L159
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.48: histone acetyltransferase.
Gene Ontology
Molecular Function
GO:0004402 histone acetyltransferase activity
GO:0010484 histone H3 acetyltransferase activity
GO:0016740 transferase activity
GO:0032931 histone H3K56 acetyltransferase activity
Biological Process
GO:0006289 nucleotide-excision repair
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0006890 retrograde vesicle-mediated transport, Golgi to endoplasmic reticulum
GO:0006896 Golgi to vacuole transport
GO:0006974 DNA damage response
GO:0030447 filamentous growth
GO:0036166 phenotypic switching
GO:0044182 filamentous growth of a population of unicellular organisms
GO:1900239 regulation of phenotypic switching
GO:1900429 negative regulation of filamentous growth of a population of unicellular organisms
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7c3o, PDBe:7c3o, PDBj:7c3o
PDBsum7c3o
PubMed
UniProtQ5AAJ8|RT109_CANAL Histone acetyltransferase RTT109 (Gene Name=RTT109)

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