Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T38179 | Target Info | |||
| Target Name | Staphylococcus Beta-lactamase (Stap-coc blaZ) | ||||
| Synonyms | blaZ; Cephalosporinase | ||||
| Target Type | Successful Target | ||||
| Gene Name | Stap-coc blaZ | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Degraded Cephaloridine | Ligand Info | |||||
| Structure Description | Structures of the acyl-enzyme complex of the staphylococcus aureus beta-lactamase mutant GLU166ASP:ASN170GLN with degraded cephaloridine | PDB:1GHM | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [1] |
| PDB Sequence |
KELNDLEKKY
40 NAHIGVYALD50 TKSGKEVKFN61 SDKRFAYAST71 SKAINSAILL81 EQVPYNKLNK 93 KVHINKDDIV103 AYSPILEKYV113 GKDITLKALI123 EASMTYSDNT133 ANNKIIKEIG 143 GIKKVKQRLK153 ELGDKVTNPV163 RYDIELQYYS173 PKSKKDTSTP183 AAFGKTLNKL 193 IANGKLSKEN203 KKFLLDLMLN213 NKSGDTLIKD223 GVPKDYKVAD233 KSGQAITYAS 243 RNDVAFVYPK253 GQSEPIVLVI263 FTNKDNKSDK273 PNDKLISETA283 KSVMKEF |
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| Ligand Name: [[N-(Benzyloxycarbonyl)Amino]Methyl]Phosphate | Ligand Info | |||||
| Structure Description | STRUCTURE OF A PHOSPHONATE-INHIBITED BETA-LACTAMASE. AN ANALOG OF THE TETRAHEDRAL TRANSITION STATE(SLASH)INTERMEDIATE OF BETA-LACTAM HYDROLYSIS | PDB:1BLH | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
KELNDLEKKY
40 NAHIGVYALD50 TKSGKEVKFN61 SDKRFAYAST71 SKAINSAILL81 EQVPYNKLNK 93 KVHINKDDIV103 AYSPILEKYV113 GKDITLKALI123 EASMTYSDNT133 ANNKIIKEIG 143 GIKKVKQRLK153 ELGDKVTNPV163 RYEIELNYYS173 PKSKKDTSTP183 AAFGKTLNKL 193 IANGKLSKEN203 KKFLLDLMLN213 NKSGDTLIKD223 GVPKDYKVAD233 KSGQAITYAS 243 RNDVAFVYPK253 GQSEPIVLVI263 FTNKDNKSDK273 PNDKLISETA283 KSVMKEF |
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| Ligand Name: Open form-penicillin G | Ligand Info | |||||
| Structure Description | STRUCTURES OF THE ACYL-ENZYME COMPLEX OF THE STAPHYLOCOCCUS AUREUS BETA-LACTAMASE MUTANT GLU166ASP:ASN170GLN WITH DEGRADED BENZYLPENICILLIN | PDB:1GHP | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | Yes | [1] |
| PDB Sequence |
KELNDLEKKY
40 NAHIGVYALD50 TKSGKEVKFN61 SDKRFAYAST71 SKAINSAILL81 EQVPYNKLNK 93 KVHINKDDIV103 AYSPILEKYV113 GKDITLKALI123 EASMTYSDNT133 ANNKIIKEIG 143 GIKKVKQRLK153 ELGDKVTNPV163 RYDIELQYYS173 PKSKKDTSTP183 AAFGKTLNKL 193 IANGKLSKEN203 KKFLLDLMLN213 NKSGDTLIKD223 GVPKDYKVAD233 KSGQAITYAS 243 RNDVAFVYPK253 GQSEPIVLVI263 FTNKDNKSDK273 PNDKLISETA283 KSVMKEF |
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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 .PNM or .PNM2 or .PNM3 or :3PNM;style chemicals stick;color identity;select .A:69 or .A:70 or .A:71 or .A:73 or .A:105 or .A:129 or .A:130 or .A:132 or .A:166 or .A:167 or .A:170 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:244; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(1-Carboxy-2-hydroxy-4-oxo-butyl)-N-(3-oxo-cispropenyl)amine | Ligand Info | |||||
| Structure Description | INHIBITION OF BETA-LACTAMASE BY CLAVULANATE: TRAPPED INTERMEDIATES IN CRYOCRYSTALLOGRAPHIC STUDIES | PDB:1BLC | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
KELNDLEKKY
40 NAHIGVYALD50 TKSGKEVKFN61 SDKRFAYAST71 SKAINSAILL81 EQVPYNKLNK 93 KVHINKDDIV103 AYSPILEKYV113 GKDITLKALI123 EASMTYSDNT133 ANNKIIKEIG 143 GIKKVKQRLK153 ELGDKVTNPV163 RYEIELNYYS173 PKSKKDTSTP183 AAFGKTLNKL 193 IANGKLSKEN203 KKFLLDLMLN213 NKSGDTLIKD223 GVPKDYKVAD233 KSGQAITYAS 243 RNDVAFVYPK253 GQSEPIVLVI263 FTNKDNKSDK273 PNDKLISETA283 KSVMKEF |
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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 .CEM or .CEM2 or .CEM3 or :3CEM;style chemicals stick;color identity;select .A:68 or .A:69 or .A:70 or .A:71 or .A:73 or .A:129 or .A:130 or .A:170 or .A:216 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE | Ligand Info | |||||
| Structure Description | INHIBITION OF BETA-LACTAMASE BY CLAVULANATE: TRAPPED INTERMEDIATES IN CRYOCRYSTALLOGRAPHIC STUDIES | PDB:1BLC | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [3] |
| PDB Sequence |
KELNDLEKKY
40 NAHIGVYALD50 TKSGKEVKFN61 SDKRFAYAST71 SKAINSAILL81 EQVPYNKLNK 93 KVHINKDDIV103 AYSPILEKYV113 GKDITLKALI123 EASMTYSDNT133 ANNKIIKEIG 143 GIKKVKQRLK153 ELGDKVTNPV163 RYEIELNYYS173 PKSKKDTSTP183 AAFGKTLNKL 193 IANGKLSKEN203 KKFLLDLMLN213 NKSGDTLIKD223 GVPKDYKVAD233 KSGQAITYAS 243 RNDVAFVYPK253 GQSEPIVLVI263 FTNKDNKSDK273 PNDKLISETA283 KSVMKEF |
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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 .TEM or .TEM2 or .TEM3 or :3TEM;style chemicals stick;color identity;select .A:69 or .A:70 or .A:71 or .A:73 or .A:105 or .A:130 or .A:132 or .A:166 or .A:167 or .A:170 or .A:171 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of the acyl-enzyme complexes of the Staphylococcus aureus beta-lactamase mutant Glu166Asp:Asn170Gln with benzylpenicillin and cephaloridine. Biochemistry. 2001 Feb 27;40(8):2351-8. | ||||
| REF 2 | Structure of a phosphonate-inhibited beta-lactamase. An analog of the tetrahedral transition state/intermediate of beta-lactam hydrolysis. J Mol Biol. 1993 Nov 5;234(1):165-78. | ||||
| REF 3 | Inhibition of beta-lactamase by clavulanate. Trapped intermediates in cryocrystallographic studies. J Mol Biol. 1992 Apr 20;224(4):1103-13. | ||||
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