Structure of PDB 2bmb Chain A Binding Site BS01

Receptor Information
>2bmb Chain A (length=513) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SWKRAFLAFGSNIGDRFKHIQMALQLLSREKTVKLRNISSIFESEPMYFK
DQTPFMNGCVEVETLLTPSELLKLCKKIEYEELQRTIDLDIVMFLNSAGE
DIIVNEPDLNIPHPRMLERTFVLEPLCELISPVHLHPVTAEPIVDHLKQL
YDKQHDEDTLWKLVPLPYRSGVEPRFLKFKTATKTNRITVSPTYIMAIFN
ATPDSFSDGGEHFADIESQLNDIIKLCKDALYLHESVIIDVGGCSTRPNS
IQASEEEEIRRSIPLIKAIRESTELPQDKVILSIDTYRSNVAKEAIKVGV
DIINDISGGLFDSNMFAVIAENPEICYILSHTRGDISTMNRLAHYENFAL
GDSIQQEFVHNTDIQQLDDLKDKTVLIRNVGQEIGERYIKAIDNGVKRWQ
ILIDPGLGFAKTWKQNLQIIRHIPILKNYSFTMNSNNSQVYVNLRNMPVL
LGPSRKKFIGHITKDVDAKQRDFATGAVVASCIGFGSDMVRVHDVKNCSK
SIKLADAIYKGLE
Ligand information
Ligand IDPMM
InChIInChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13)
InChIKeyAJXFJEHKGGCFNM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2ncc(CO[P](O)(O)=O)nc2C(=O)N1
OpenEye OEToolkits 1.5.0c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCc1nc2C(=O)NC(=Nc2nc1)N
FormulaC7 H8 N5 O5 P
NamePTERIN-6-YL-METHYL-MONOPHOSPHATE
ChEMBLCHEMBL1159902
DrugBankDB03592
ZINCZINC000005973848
PDB chain2bmb Chain A Residue 1865 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bmb The Three-Dimensional Structure of the Bifunctional 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase/Dihydropteroate Synthase of Saccharomyces Cerevisiae
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R598 N655 I657 D755 F760 G803 K807 R842 H844
Binding residue
(residue number reindexed from 1)		R247 N304 I306 D404 F409 G452 K456 R491 H493
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R420 D432 D434 K807 R842
Catalytic site (residue number reindexed from 1) R85 D88 D90 K456 R491
Enzyme Commision number 2.5.1.15: dihydropteroate synthase.
2.7.6.3: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase.
4.1.2.25: dihydroneopterin aldolase.
Gene Ontology
Molecular Function
GO:0003848 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase activity
GO:0004156 dihydropteroate synthase activity
Biological Process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0042558 pteridine-containing compound metabolic process
GO:0044237 cellular metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2bmb, PDBe:2bmb, PDBj:2bmb
PDBsum2bmb
PubMed15826662
UniProtP53848|FOL1_YEAST Folic acid synthesis protein FOL1 (Gene Name=FOL1)

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