Structure of PDB 7scj Chain B Binding Site BS01

Receptor Information
>7scj Chain B (length=568) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLSCRMHTCFDVYRCGFNPKNKIKVYIYALISREYNELLMAISDSDYYTD
DINRACLFVPSIDVLNQNTLRIKETAQAMAQLSRWDRGTNHLLFNMLPGG
PPDYNTALDVPRDRALLAGGGFSTWTYRQGYDVSIPVYSPLSAEVDLPEK
GPGPRQYFLLSSQVGLHPEYREDLEALQVKHGESVLVLDKRKRCHKHQVF
DYPQVLQEATFCVVLRGARLGQAVLSDVLQAGCVPVVIADSYILPFSEVL
DWKRASVVVPEEKMSDVYSILQSIPQRQIEEMQRQARWFWEAYFQSIKAI
ALATLQIINDRIYPYAAISYEEWNDPPAVKWGSVSNPLFLPLIPPQSQGF
TAIVLTYDRVESLFRVITEVSKVPSLSKLLVVWNNQNKNPPEDSLVPLKV
VRTAENKLSNRFFPYDEIETEAVLAIDDDIIMLTSDELQFGYEVWREFPD
RLVGYPGRLHLWDHEMNKWKYESEWTNEVSMVLTGAAFYHKYFNYLYTYK
MPGDIKNWVDAHMNCEDIAMNFLVANVTGKAVIKVTTHMVERSECINKFA
SVFGTMPLKVVEHRADPV
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain7scj Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7scj Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		L461 T462 Y463 N517 L519 D540
Binding residue
(residue number reindexed from 1)		L355 T356 Y357 N406 L408 D429
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.224: glucuronosyl-N-acetylglucosaminyl-proteoglycan 4-alpha-N- acetylglucosaminyltransferase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008375 acetylglucosaminyltransferase activity
GO:0015020 glucuronosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0042328 heparan sulfate N-acetylglucosaminyltransferase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0046982 protein heterodimerization activity
GO:0050508 glucuronosyl-N-acetylglucosaminyl-proteoglycan 4-alpha-N-acetylglucosaminyltransferase activity
GO:0050509 N-acetylglucosaminyl-proteoglycan 4-beta-glucuronosyltransferase activity
Biological Process
GO:0000271 polysaccharide biosynthetic process
GO:0001503 ossification
GO:0001707 mesoderm formation
GO:0002062 chondrocyte differentiation
GO:0006024 glycosaminoglycan biosynthetic process
GO:0006486 protein glycosylation
GO:0006487 protein N-linked glycosylation
GO:0008217 regulation of blood pressure
GO:0010467 gene expression
GO:0015012 heparan sulfate proteoglycan biosynthetic process
GO:0015014 heparan sulfate proteoglycan biosynthetic process, polysaccharide chain biosynthetic process
GO:0030210 heparin biosynthetic process
GO:0042044 fluid transport
GO:0042311 vasodilation
GO:0044344 cellular response to fibroblast growth factor stimulus
GO:0050891 multicellular organismal-level water homeostasis
GO:0051923 sulfation
GO:0055078 sodium ion homeostasis
GO:0060047 heart contraction
GO:0060350 endochondral bone morphogenesis
Cellular Component
GO:0000139 Golgi membrane
GO:0005576 extracellular region
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0016020 membrane
GO:0043541 UDP-N-acetylglucosamine transferase complex
GO:0070062 extracellular exosome
GO:1902494 catalytic complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7scj, PDBe:7scj, PDBj:7scj
PDBsum7scj
PubMed36593275
UniProtQ93063|EXT2_HUMAN Exostosin-2 (Gene Name=EXT2)

[Back to BioLiP]