Structure of PDB 5ca8 Chain A Binding Site BS02

Receptor Information
>5ca8 Chain A (length=636) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAIQIIDENKHFNTGILDYINKTSPADVGNNYHIISVFGSQSTGKSTLLN
RLFNTNFDVMGIWLAYSPVVSTTLGHTTSKSNILVMDVEGTDEDQDFERK
AALFALSTSEVLIINIWETQVGLYQGANMGLLKTVFEVNLSLFGKSKLET
HNDHKVLLLIVIRDHVGVTPVESLAKTFTLDLQNMWSSLAKPAELEHLQF
ADFFDVTFHALNHKVLQPKEFGEGINRLGDRLVVSNELFKPEYHHDVPID
GWTMYAERCWEQIETNKDLDLPTQQILVAQFKCDEIVESVFQEFLTKYQH
HFKEVDAAPDFEELGALFADLRQDAFEDYDASASRYNKAVYEQKRKKLRW
LINDKLKEVFDVHAKNLCNTLLEKFEKDLVALKGKDFAVNVKTLSTKLVE
DVNFQVSLMSLQGDLSLDEIILALTKDIDAIVAKQQVVELNSIVNKSVKK
LSASLSKSIQFELGDPNEETWDNVLQQFKGVYEKFGGDFGLGTSSTQNQQ
AIEKFKFKSWCQFYDVTHKLISREKLLALLQDRFDDKFRYDENGLPKLYL
NEQDLEKTFAVAKQHALQVLPILTFAKLADGSEIVPDYDIFDSKLREQFL
DHCFAEIITEQEKLEVLAKFKKEVDAKYIETKRSIV
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 chain5ca8 Chain A Residue 702 [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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PDB5ca8 Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S68 T69 G70 K71 S72 T73 V85 E125 W158 R204 D205 K255
Binding residue
(residue number reindexed from 1)		S42 T43 G44 K45 S46 T47 V59 E89 W117 R163 D164 K214
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:5ca8, PDBe:5ca8, PDBj:5ca8
PDBsum5ca8
PubMed26370501
UniProtQ9C0L9|SEY1_CANAL Protein SEY1 (Gene Name=SEY1)

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