Structure of PDB 7sol Chain C Binding Site BS01

Receptor Information
>7sol Chain C (length=970) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAKSHVFLSGMGGLGLEIAKNLVLAGIKAVTIHDTEKCQAWDLGTNFFLS
EDDVVNKRNRAEAVLKHIAELNPYVHVTSSSVPFNETTDLSFLDKYQCVV
LTEMKLPLQKKINDFCRSQCPPIKFISADVHGIWSRLFCDFGDEFEVLDT
TGEEPKEIFISNITQANPGIVTCLENHPHKLETGQFLTFREINGMTGLNG
SIQQITVISPFSFSIGDTTELEPYLHGGIAVQVKTPKTVFFESLERQLKH
PKCLIVDFSNPEAPLEIHTAMLALDQFQEKYSRKPNVGCQQDSEELLKLA
TSISETLEEKPDVNADIVHWLSWTAQGFLSPLAAAVGGVASQEVLKAVTG
KFSPLCQWLYLEAADIVESLGKPECEEFLPRGDRYDALRACIGDTLCQKL
QNLNIFLVGCGAIGCEMLKNFALLGVGTSKEKGMITVTDPDLIEKSNLNR
QFLFRPHHIQKPKSYTAADATLKINSQIKIDAHLNKVCPTTETIYNDEFY
TKQDVIITALDNVEARRYVDSRCLANLRPLLDSGTMGTKGHTEVIVPHLT
ESYNSHRDPPEEEIPFATLKSFPAAIEHTIQWARDKFESSFSHKPSLFNK
FWQTYSSAEEVLQKIQSGHSLEGCFQVIKLLSRRPRNWSQCVELARLKFE
KYFNHKALQLLHCFPLDIRLKDGSLFWQSPKRPPSPIKFDLNEPLHLSFL
QNAAKLYATVYCIPFAEEDLSADALLNILSEVKIQEFKPSEDERNAIFQL
EKAILSNEATKSDLQMAVLSFEKDDDHNGHIDFITAASNLRAKMYSIEPA
DRFKTKRIAGKIIPAIATTTATVSGLVALEMIKVTGGYPFEAYKNCFLNL
AIPIVVFTETTEVRKTKIRNGISFTIWDRWTVHGKEDFTLLDFINAVKEK
YGIEPTMVVQGVKMLYVPVMPGHAKRLKLTMHKLVKPTTEKKYVDLTVSF
APDIDGDEDLPGPPVRYYFS
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain7sol Chain D Residue 2101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sol Crystal structures reveal catalytic and regulatory mechanisms of the dual-specificity ubiquitin/FAT10 E1 enzyme Uba6.
Resolution2.25001 Å
Binding residue
(original residue number in PDB)		G469 D497 K521 K544 V545 L568 D569 N570 T626
Binding residue
(residue number reindexed from 1)		G411 D439 K463 K486 V487 L510 D511 N512 T568
Annotation score1
Enzymatic activity
Enzyme Commision number 6.2.1.45: E1 ubiquitin-activating enzyme.
Gene Ontology
Molecular Function
GO:0004792 thiosulfate sulfurtransferase activity
GO:0004839 ubiquitin activating enzyme activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008641 ubiquitin-like modifier activating enzyme activity
GO:0016779 nucleotidyltransferase activity
GO:0016874 ligase activity
GO:0019780 FAT10 activating enzyme activity
Biological Process
GO:0006511 ubiquitin-dependent protein catabolic process
GO:0007612 learning
GO:0007626 locomotory behavior
GO:0016567 protein ubiquitination
GO:0021764 amygdala development
GO:0021766 hippocampus development
GO:0032446 protein modification by small protein conjugation
GO:0036211 protein modification process
GO:0060996 dendritic spine development
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7sol, PDBe:7sol, PDBj:7sol
PDBsum7sol
PubMed35986001
UniProtA0AVT1|UBA6_HUMAN Ubiquitin-like modifier-activating enzyme 6 (Gene Name=UBA6)

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