Structure of PDB 2yzl Chain A Binding Site BS01

Receptor Information
>2yzl Chain A (length=238) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLEEILKKQPLYSGKAKSIYEIDDDKVLIEFRDDITAGGAKHDVKQGKGY
LNALISSKLFEALEENGVKTHYIKYIEPRYMIAKKVEIIPIEVIVRNIAA
GSLCRRYPFEEGKELPFPIVQFDYKNDEYGDPMLNEDIAVALGLATREEL
NKIKEIALKVNEVLKKLFDEKGIILVDFKIEIGKDREGNLLVADEISPDT
MRLWDKETRDVLDKDVFRKDLGDVIAKYRIVAERLGLL
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain2yzl Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yzl Crystal structure of phosphoribosylaminoimidazole-succinocarboxamide synthase with ADP from Methanocaldococcus jannaschii
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y15 G17 K18 K20 I22 V90 I92 K129 E185 D198
Binding residue
(residue number reindexed from 1)		Y12 G14 K15 K17 I19 V86 I88 K125 E181 D194
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.2.6: phosphoribosylaminoimidazolesuccinocarboxamide synthase.
Gene Ontology
Molecular Function
GO:0004639 phosphoribosylaminoimidazolesuccinocarboxamide synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
GO:0009236 cobalamin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2yzl, PDBe:2yzl, PDBj:2yzl
PDBsum2yzl
PubMed
UniProtQ58987|PUR7_METJA Phosphoribosylaminoimidazole-succinocarboxamide synthase (Gene Name=purC)

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