Structure of PDB 6vld Chain B Binding Site BS01

Receptor Information
>6vld Chain B (length=469) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLGKDHEILRRRIENGAKELWFFLQSELKKLKNLEGNELQRHADEFLLDL
GHHERSIMTDLYYLSQTDGAGDWREKEAKDLTELVQRRITYLQNPKDCSK
AKKLVCNINKGCGYGCQLHHVVYCFMIAYGTQRTLILESQNWRYATGGWE
TVFRPVSETCTDRSGISTGHWSGEVKDKNVQVVELPIVDSLHPRPPYLPL
AVPEDLADRLVRVHGDPAVWWVSQFVKYLIRPQPWLEKEIEEATKKLGFK
HPVIGVHVRRTDKVGTEAAFHPIEEYMVHVEEHFQLLARRMQVDKKRVYL
ATDDPSLLKEAKTKYPNYEFISDNSISWSAGLHNRYTENSLRGVILDIHF
LSQADFLVCTFSSQVCRVAYEIMQTLHPDASANFHSLDDIYYFGGQNAHN
QIAIYAHQPRTADEIPMEPGDIIGVAGNHWDGYSKGVNRKLGRTGLYPSY
KVREKIETVKYPTYPEAEK
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 chain6vld Chain B Residue 609 [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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PDB6vld Structural basis of substrate recognition and catalysis by fucosyltransferase 8.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		Y220 G221 Y250 H363 R365 K369 A407 T408 A436 R441 V450 D453 S469 Q470 V471
Binding residue
(residue number reindexed from 1)		Y114 G115 Y144 H257 R259 K263 A301 T302 A330 R335 V344 D347 S363 Q364 V365
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.68: glycoprotein 6-alpha-L-fucosyltransferase.
External links
PDB RCSB:6vld, PDBe:6vld, PDBj:6vld
PDBsum6vld
PubMed32220931
UniProtQ9BYC5|FUT8_HUMAN Alpha-(1,6)-fucosyltransferase (Gene Name=FUT8)

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