Structure of PDB 7s2i Chain A Binding Site BS01
Receptor Information
>7s2i Chain A (length=264) Species:
77133
(uncultured bacterium) [
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MVTVFGILNLTEDSFFDESRRLDPAGAVTAAIEMLRVGSDVVDVGPAASH
PDARPVSPADEIRRIAPLLDALSDQMHRVSIDSFQPETQRYALKRGVGYL
NDIQGFPDPALYPDIAEADCRLVVMHSAQRTRTGHLRPEDALDEIVRFFE
ARVSALRRSGVAADRLILDPGMGFFLSPAPETSLHVLSNLQKLKSALGLP
LLVSVSRKSFLGATVGLPVKDLGPASLAAELHAIGNGADYVRTHAPGDLR
SAITFSETLAKFRS
Ligand information
Ligand ID
HHR
InChI
InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14)
InChIKey
XGWIBNWDLMIPNF-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1c(nc2c(n1)N=C(NC2=O)N)CO
ACDLabs 10.04
O=C1c2nc(cnc2N=C(N1)N)CO
CACTVS 3.341
NC1=Nc2ncc(CO)nc2C(=O)N1
Formula
C7 H7 N5 O2
Name
6-HYDROXYMETHYLPTERIN
ChEMBL
CHEMBL101541
DrugBank
DB03197
ZINC
ZINC000016051887
PDB chain
7s2i Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
7s2i
Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Resolution
2.32 Å
Binding residue
(original residue number in PDB)
N101 M125 D173 F179 S208 K212 R246
Binding residue
(residue number reindexed from 1)
N101 M125 D169 F175 S204 K208 R242
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.5.1.15
: dihydropteroate synthase.
Gene Ontology
Molecular Function
GO:0004156
dihydropteroate synthase activity
GO:0016740
transferase activity
GO:0046872
metal ion binding
Biological Process
GO:0009396
folic acid-containing compound biosynthetic process
GO:0042558
pteridine-containing compound metabolic process
GO:0044237
cellular metabolic process
GO:0046654
tetrahydrofolate biosynthetic process
GO:0046656
folic acid biosynthetic process
GO:0046677
response to antibiotic
Cellular Component
GO:0005829
cytosol
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:7s2i
,
PDBe:7s2i
,
PDBj:7s2i
PDBsum
7s2i
PubMed
37419898
UniProt
P0C002
|DHP1_ECOLX Dihydropteroate synthase type-1 (Gene Name=sulI)
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