Structure of PDB 6x5s Chain B Binding Site BS01

Receptor Information
>6x5s Chain B (length=466) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGKDHEILRRRIENGAKELWFFLQSELKKLKNLEGNELQRHADEFLLDLG
HHERSIMTDLYYLSQTDGAGDWREKEAKDLTELVQRRITYLQNPKDCSKA
KKLVCNINKGCGYGCQLHHVVYCFMIAYGTQRTLILESQNWRYATGGWET
VFRPVSETCTDRSGISTGHWSGEVKDKNVQVVELPIVDSLHPRPPYLPLA
VPEDLADRLVRVHGDPAVWWVSQFVKYLIRPQPWLEKEIEEATKKLGFKH
PVIGVHVRRTDKVGTEAAFHPIEEYMVHVEEHFQLLARRMQVDKKRVYLA
TDDPSLLKEAKTKYPNYEFISDNSISWSAGLHNRYTENSLRGVILDIHFL
SQADFLVCTFSSQVCRVAYEIMQTLHPDASANFHSLDDIYYFGGQNAHNQ
IAIYAHQPRTADEIPMEPGDIIGVAGNHWDGYSKGVNRKLGRTGLYPSYK
VREKIETVKYPTYPEA
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain6x5s Chain D Residue 600 [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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PDB6x5s Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G219 Y220 G221 Y250 H363 R365 K369 A407 T408 A436 R441 G449 V450 D453 S469 Q470
Binding residue
(residue number reindexed from 1)		G112 Y113 G114 Y143 H256 R258 K262 A300 T301 A329 R334 G342 V343 D346 S362 Q363
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.68: glycoprotein 6-alpha-L-fucosyltransferase.
External links
PDB RCSB:6x5s, PDBe:6x5s, PDBj:6x5s
PDBsum6x5s
PubMed33004438
UniProtQ9BYC5|FUT8_HUMAN Alpha-(1,6)-fucosyltransferase (Gene Name=FUT8)

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