Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T88240 | Target Info | |||
| Target Name | Bacterial Dihydropteroate synthetase (Bact folP) | ||||
| Synonyms | folP; H2Pte synthase; Dihydropteroate synthase; Dihydropteroate pyrophosphorylase; DHPS | ||||
| Target Type | Successful Target | ||||
| Gene Name | Bact folP | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Sulfanilamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE | PDB:1AJ0 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
MKLFAQGTSL
10 DLSHPHVMGI20 LNVTPDSFSD30 GGTHNSLIDA40 VKHANLMINA50 GATIIDVGGE 60 STRPGAAEVS70 VEEELQRVIP80 VVEAIAQRFE90 VWISVDTSKP100 EVIRESAKVG 110 AHIINDIRSL120 SEPGALEAAA130 ETGLPVCLMH140 MQGNPKTMQE150 APKYDDVFAE 160 VNRYFIEQIA170 RCEQAGIAKE180 KLLLDPGFGF190 GKNLSHNYSL200 LARLAEFHHF 210 NLPLLVGMSR220 KSMIGQLLNV230 GPSERLSGSL240 ACAVIAAMQG250 AHIIRVHDVK 260 ETVEAMRVVE270 ATLSAKENKR280 YE
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| Ligand Name: 6-Hydroxymethyl-7,8-Dihydropterin | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE | PDB:1AJ0 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
MKLFAQGTSL
10 DLSHPHVMGI20 LNVTPDSFSD30 GGTHNSLIDA40 VKHANLMINA50 GATIIDVGGE 60 STRPGAAEVS70 VEEELQRVIP80 VVEAIAQRFE90 VWISVDTSKP100 EVIRESAKVG 110 AHIINDIRSL120 SEPGALEAAA130 ETGLPVCLMH140 MQGNPKTMQE150 APKYDDVFAE 160 VNRYFIEQIA170 RCEQAGIAKE180 KLLLDPGFGF190 GKNLSHNYSL200 LARLAEFHHF 210 NLPLLVGMSR220 KSMIGQLLNV230 GPSERLSGSL240 ACAVIAAMQG250 AHIIRVHDVK 260 ETVEAMRVVE270 ATLSAKENKR280 YE
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| Ligand Name: [7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF A BINARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE | PDB:1AJ2 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
MKLFAQGTSL
10 DLSHPHVMGI20 LNVTPDSFSD30 GGTHNSLIDA40 VKHANLMINA50 GATIIDVGGE 60 STRPGAAEVS70 VEEELQRVIP80 VVEAIAQRFE90 VWISVDTSKP100 EVIRESAKVG 110 AHIINDIRSL120 SEPGALEAAA130 ETGLPVCLMH140 MQGNPKTMQE150 APKYDDVFAE 160 VNRYFIEQIA170 RCEQAGIAKE180 KLLLDPGFGF190 GKNLSHNYSL200 LARLAEFHHF 210 NLPLLVGMSR220 KSMIGQLLNV230 GPSERLSGSL240 ACAVIAAMQG250 AHIIRVHDVK 260 ETVEAMRVVE270 ATLSAKENKR280 YE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2PH or .2PH2 or .2PH3 or :32PH;style chemicals stick;color identity;select .A:20 or .A:22 or .A:56 or .A:61 or .A:62 or .A:63 or .A:96 or .A:115 or .A:117 or .A:137 or .A:139 or .A:185 or .A:187 or .A:188 or .A:190 or .A:215 or .A:217 or .A:219 or .A:221 or .A:255 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE20
3.548
ASN22
2.947
ASP56
4.422
SER61
3.677
THR62
2.907
ARG63
3.003
ASP96
3.065
ASN115
2.724
ILE117
3.338
CYS137
4.021
MET139
3.764
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the anti-bacterial sulfonamide drug target dihydropteroate synthase. Nat Struct Biol. 1997 Jun;4(6):490-7. | ||||
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