Structure of PDB 7bop Chain E Binding Site BS02

Receptor Information
>7bop Chain E (length=372) Species: 451804 (Aspergillus fumigatus A1163) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQSHGPSFISKGSKEYNGMKRDPLLDPTGEPEGHLWRADDNDYAPNSAHS
ARTNAALISLVRNEELEDLISTMKDLERTWNSKFNYPWIFFNDKPFTEEF
KKRTQAETKAKCYYEQVPKEHWDPPEWINMELFRESAAILTEQKIQYSDK
LSYHQMCRWNSGMFYKHPALKNYKYYWRVEPKVQFFCNVDYDVFRFMEDR
NLTYGFTINLFDDPKTVPTLWPETKKFLAANPSYLSSNNMMGWLTDDSLR
PDHTEAANGYSTCHFWSNFEIGDLDFFRGEQYDAYFNHLDRAGGFFYERW
GDAPVHSIGLGLFADAAKVHWFRDIGYNHIPYYNCPNSPKCSKCTPGQFY
AGAPFLAKEDCRPSYFKHVGMH
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 chain7bop Chain E Residue 402 [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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PDB7bop Structural basis for the core-mannan biosynthesis of cell wall fungal-type galactomannan in Aspergillus fumigatus .
Resolution1.9 Å
Binding residue
(original residue number in PDB)		L85 V86 R87 E90 N117 D118 W147 Y172 Y178 M181 E205 H354
Binding residue
(residue number reindexed from 1)		L60 V61 R62 E65 N92 D93 W122 Y147 Y153 M156 E180 H329
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000030 mannosyltransferase activity
Biological Process
GO:0006486 protein glycosylation
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bop, PDBe:7bop, PDBj:7bop
PDBsum7bop
PubMed32873705
UniProtB0Y2F5

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