Structure of PDB 4z87 Chain D Binding Site BS01

Receptor Information
>4z87 Chain D (length=484) Species: 284811 (Eremothecium gossypii ATCC 10895) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYRDAATALEHLATYAEKDGLSVEQLMDGGLTYNDFLVLPGKIDFPSSEV
VLSSRLTKKITLNAPFVSSPMDTVTEADMAIHMALLGGIGIIHHNCTAEE
QAEMVRRVKKYENGFINAPVVVGPDATVADVRRMKNEFGFAGFPVTDDGK
PTGKLQGIITSRDIQFVEDETLLVSEIMTKDVITGKQGINLEEANQILKN
TKKGKLPIVDEAGCLVSMLSRTDLMKNQSYPLASKSADTKQLLCGAAIGT
IDADRQRLAMLVEAGLDVVVLDSSQGNSVFQINMIKWIKETFPDLQVIAG
NVVTREQAASLIHAGADGLRIGMGSGSICITQEVMACGRPQGTAVYNVTQ
FANQFGVPCIADGGVQNIGHITKAIALGASTVMMGGMLAGTTESPEYFFR
DGKRLKTYRGMGSAQGVTGSVIDKGSIKKYIPYLYNGLQHSCQDIGVRSL
VEFREKVDSGSVRFEFRTPSAQLEGGVHNLHSYE
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 chain4z87 Chain D Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4z87 Guanine nucleotide binding to the Bateman domain mediates the allosteric inhibition of eukaryotic IMP dehydrogenases.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		S74 M76 R325 G331 S332 I333 C334 T336 D367 G390 G391 Y414 G416 M417 G418 Q448
Binding residue
(residue number reindexed from 1)		S69 M71 R320 G326 S327 I328 C329 T331 D362 G385 G386 Y408 G410 M411 G412 Q415
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4z87, PDBe:4z87, PDBj:4z87
PDBsum4z87
PubMed26558346
UniProtQ756Z6

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