Structure of PDB 3a9c Chain B Binding Site BS01

Receptor Information
>3a9c Chain B (length=325) Species: 311400 (Thermococcus kodakarensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HIEGRHMAVVKEVLEIAEKIKNMEIRGAGKIARSAAYALQLQAEKSKATN
VDEFWKEMKQAAKILFETRPTAVSLPNALRYVMHRGKIAYSSGADLEQLR
FVIINAAKEFIHNSEKALERIGEFGAKRIEDGDVIMTHCHSKAAISVMKT
AWEQGKDIKVIVTETRPKWQGKITAKELASYGIPVIYVVDSAARHYMKMT
DKVVMGADSITVNGAVINKIGTALIALTAKEHRVWTMIAAETYKFHPETM
LVEIEMRDPTEVIPEDELKTWPKNIEVWNPAFDVTPPEYVDVIITERGII
PPYAAIDILREEFGWALKYTEPWED
Ligand information
Ligand IDRUB
InChIInChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1
InChIKeyYAHZABJORDUQGO-NQXXGFSBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)C(=O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C(C(C(C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)C(=O)CO[P](O)(O)=O
FormulaC5 H12 O11 P2
NameRIBULOSE-1,5-DIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain3a9c Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a9c Dynamic, ligand-dependent conformational change triggers reaction of ribose-1,5-bisphosphate isomerase from Thermococcus kodakarensis KOD1
Resolution2.6 Å
Binding residue
(original residue number in PDB)		A133 S135 K136 A137 A201 N212 K213 K238 R254
Binding residue
(residue number reindexed from 1)		A139 S141 K142 A143 A207 N218 K219 K244 R257
Annotation score5
Enzymatic activity
Enzyme Commision number 5.3.1.29: ribose-1,5-bisphosphate isomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0043917 ribose 1,5-bisphosphate isomerase activity
GO:0046523 S-methyl-5-thioribose-1-phosphate isomerase activity
Biological Process
GO:0019323 pentose catabolic process
GO:0019509 L-methionine salvage from methylthioadenosine
GO:0044237 cellular metabolic process
GO:0044249 cellular biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3a9c, PDBe:3a9c, PDBj:3a9c
PDBsum3a9c
PubMed22511789
UniProtQ5JFM9|R15PI_THEKO Ribose 1,5-bisphosphate isomerase (Gene Name=TK0185)

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