Structure of PDB 5tc3 Chain B Binding Site BS01

Receptor Information
>5tc3 Chain B (length=489) Species: 284811 (Eremothecium gossypii ATCC 10895) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYRDAATALEHLATYAEKDGLSVEQLMDSKTRGGLTYNDFLVLPGKIDFP
SSEVVLSSRLTKKITLNAPFVSSPMDTVTEADMAIHMALLGGIGIIHHNC
TAEEQAEMVRRVKKYENGFINAPVVVGPDATVADVRRMKNEFGFAGFPVT
DDGKPTGKLQGIITSRDIQFVEDETLLVSEIMTKDVITGKQGINLEEANQ
ILKNTKKGKLPIVDEAGCLVSMLSRTDLMKNQSYPLASKSADTKQLLCGA
AIGTIDADRQRLAMLVEAGLDVVVLDSSQGNSVFQINMIKWIKETFPDLQ
VIAGNVVTREQAASLIHAGADGLRIGMGSGSICITQEVMACGRPQGTAVY
NVTQFANQFGVPCIADGGVQNIGHITKAIALGASTVMMGGMLAGTTESPG
EYFRDRLKTYRGSIDAMAQGVTGSVIDKGSIKKYIPYLYNGLQHSCQDIG
VRSLVEFREKVDSGSVRFEFRTPSAQLEGGVHNLHSLFD
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain5tc3 Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5tc3 A nucleotide-controlled conformational switch modulates the activity of eukaryotic IMP dehydrogenases.
Resolution2.462 Å
Binding residue
(original residue number in PDB)		S74 R325 G331 S332 C334 T336 D367 G390 G391 Y414 G418
Binding residue
(residue number reindexed from 1)		S73 R324 G330 S331 C333 T335 D366 G389 G390 Y410 G412
Annotation score2
Enzymatic activity
Enzyme Commision number 1.1.1.205: IMP dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0003938 IMP dehydrogenase activity
GO:0005524 ATP binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006177 GMP biosynthetic process
GO:0006183 GTP biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5tc3, PDBe:5tc3, PDBj:5tc3
PDBsum5tc3
PubMed28572600
UniProtQ756Z6

[Back to BioLiP]