Structure of PDB 3tzf Chain B Binding Site BS02

Receptor Information
>3tzf Chain B (length=274) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHLTARGLTLDLSRPQVMGILNVTPDSFSDGGCHNNLDQALQHAQRMLSA
GATLIDIGGESTRPGEVSEQEELDRVVPVVEALAQRFDVWLSVDTSKAAV
ITESAHAGAHLINDIRSLQEPGALEAAAKTGLPVCLMHMQGQPKNMQHSP
YYDDLMTDINRFFQHHIERCVAAGIAKNKLLLDPGFGFGKNLAHNYQLLA
HLSELHHFELPLLVGMSRKSMVGQLLNVPPQQRVIGSVACAVIAAMQGAQ
IIRVHDVKETVEAMCIVEATRSAK
Ligand information
Ligand ID08D
InChIInChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKeyJLKIGFTWXXRPMT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1
OpenEye OEToolkits 1.7.6Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N
ACDLabs 12.01O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2
FormulaC10 H11 N3 O3 S
NameSulfamethoxazole;
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;
SMX;
SMZ
ChEMBLCHEMBL443
DrugBankDB01015
ZINCZINC000000089763
PDB chain3tzf Chain B Residue 280 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tzf Catalysis and sulfa drug resistance in dihydropteroate synthase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F28 T62 R63 P64 F190 K221 S222
Binding residue
(residue number reindexed from 1)		F28 T62 R63 P64 F188 K219 S220
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K221 R255
Catalytic site (residue number reindexed from 1) K219 R253
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
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3tzf, PDBe:3tzf, PDBj:3tzf
PDBsum3tzf
PubMed22383850
UniProtA0A2S9PLG4

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