Structure of PDB 6t7f Chain B Binding Site BS01

Receptor Information
>6t7f Chain B (length=150) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGSALKRINKELSDLARDPPAQSRAGPVGDDMFHWQATIMGPNDSPYQG
GVFFLTIHFPTDYPFKPPKVAFTTRIYHPNINSNGSICLDILRSQWSPAL
TISKVLLSISSLLSDPNPDDPLVPEIARIYKTDRDKYNRISREWTQKYAM
Ligand information
Ligand IDLWZ
InChIInChI=1S/C6H10N4OS2/c11-5(1-6(12)13)7-2-4-3-8-10-9-4/h3,6,12-13H,1-2H2,(H,7,11)(H,8,9,10)
InChIKeyAIOYUZNWKHEZES-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(nn[nH]1)CNC(=O)CC(S)S
CACTVS 3.385SC(S)CC(=O)NCc1c[nH]nn1
FormulaC6 H10 N4 O S2
Name3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
ChEMBL
DrugBank
ZINC
PDB chain6t7f Chain B Residue 201 [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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PDB6t7f Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity.
Resolution2.58 Å
Binding residue
(original residue number in PDB)		C85 N114 D117
Binding residue
(residue number reindexed from 1)		C88 N117 D120
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.2.23: E2 ubiquitin-conjugating enzyme.
2.3.2.24: (E3-independent) E2 ubiquitin-conjugating enzyme.
Gene Ontology
Molecular Function
GO:0004842 ubiquitin-protein transferase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016740 transferase activity
GO:0019787 ubiquitin-like protein transferase activity
GO:0031625 ubiquitin protein ligase binding
GO:0061630 ubiquitin protein ligase activity
GO:0061631 ubiquitin conjugating enzyme activity
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0000209 protein polyubiquitination
GO:0006281 DNA repair
GO:0006511 ubiquitin-dependent protein catabolic process
GO:0006513 protein monoubiquitination
GO:0006915 apoptotic process
GO:0016567 protein ubiquitination
GO:0030514 negative regulation of BMP signaling pathway
GO:0036211 protein modification process
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0051865 protein autoubiquitination
GO:0070936 protein K48-linked ubiquitination
GO:0070979 protein K11-linked ubiquitination
GO:0085020 protein K6-linked ubiquitination
GO:1903955 positive regulation of protein targeting to mitochondrion
Cellular Component
GO:0000151 ubiquitin ligase complex
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005768 endosome
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0010008 endosome membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6t7f, PDBe:6t7f, PDBj:6t7f
PDBsum6t7f
PubMed32747811
UniProtP61077|UB2D3_HUMAN Ubiquitin-conjugating enzyme E2 D3 (Gene Name=UBE2D3)

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