Structure of PDB 6xog Chain B Binding Site BS01

Receptor Information
>6xog Chain B (length=500) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRELAEAVAGGRVLVVGAGGIGCELLKNLVLTGFSHIDLIDLDTIDVSNL
NRQFLFQKKHVGRSKAQVAKESVLQFYPKANIVAYHDSIMNPDYNVEFFR
QFILVMNALDNRAARNHVNRMCLAADVPLIESGTAGYLGQVTTIKKGVTE
CYECHPKPTFPGCTIRNTPSEPIHCIVWAKYLFNQLFGEEDADQEVSPDR
ADPEAAWEPTEAEATKEWAKSTGYDPVKLFTKLFKDDIRYLLTMDKLWRK
RKPPVPLDWAEVQSQLGLKDQQVLDVKSYARLFSKSIETLRVHLAEKELI
WDKDDPSAMDFVTSAANLRMHIFSMNMKSRFDIKSMAGNIIPAIATTNAV
IAGLIVLEGLKILSGKIDQCRTIFLNKQPNPRKKLLVPCALDPPNPNCYV
CASKPEVTVRLNVHKVTVLTLQDKIVKEKFAMVAPDVQIEDGTILISSEE
ETENNKKLSEFGIRNGSRLQADDFLQDYTLLINILHSEDLGKDVEFEVVG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6xog Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xog Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		C158 C161 C441 C444
Binding residue
(residue number reindexed from 1)		C151 C154 C398 C401
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D117 C173 T174 R176
Catalytic site (residue number reindexed from 1) D110 C163 T164 R166
Enzyme Commision number 2.3.2.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008641 ubiquitin-like modifier activating enzyme activity
GO:0016740 transferase activity
GO:0019948 SUMO activating enzyme activity
GO:0032183 SUMO binding
GO:0044388 small protein activating enzyme binding
GO:0044390 ubiquitin-like protein conjugating enzyme binding
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
Biological Process
GO:0016925 protein sumoylation
GO:0033235 positive regulation of protein sumoylation
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0031510 SUMO activating enzyme complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6xog, PDBe:6xog, PDBj:6xog
PDBsum6xog
PubMed33631934
UniProtQ9UBT2|SAE2_HUMAN SUMO-activating enzyme subunit 2 (Gene Name=UBA2)

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