Structure of PDB 6tkv Chain B Binding Site BS01

Receptor Information
>6tkv Chain B (length=453) 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
TDDPSLLKEAKTKYPNYEFISDNSLRGVILDIHFLSQADFLVCTFSSQVC
RVAYEIMQTLHPDASANFHSLDDIYYFGGQNAHNQIAIYAHQPRTADEIP
MEPGDIIGVAGNHWDGYSKGVNRKLGRTGLYPSYKVREKIETVKYPTYPE
AEK
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 chain6tkv Chain B Residue 601 [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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PDB6tkv Structural basis for substrate specificity and catalysis of alpha 1,6-fucosyltransferase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G219 Y220 G221 C222 H363 R365 A407 T408 V450 D453 S469 Q470
Binding residue
(residue number reindexed from 1)		G112 Y113 G114 C115 H256 R258 A300 T301 V328 D331 S347 Q348
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.68: glycoprotein 6-alpha-L-fucosyltransferase.
External links
PDB RCSB:6tkv, PDBe:6tkv, PDBj:6tkv
PDBsum6tkv
PubMed32080177
UniProtQ9BYC5|FUT8_HUMAN Alpha-(1,6)-fucosyltransferase (Gene Name=FUT8)

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