Structure of PDB 1qhx Chain A Binding Site BS01

Receptor Information
>1qhx Chain A (length=178) Species: 54571 (Streptomyces venezuelae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTTRMIILNGGSSAGKSGIVRCLQSVLPEPWLAFGVDSLIEAMPLKMQSA
EGGIEFDADGGVSIGPEFRALEGAWAEGVVAMARAGARIIIDDVFLGGAA
AQERWRSFVGDLDVLWVGVRCDGAVAEGRETARGDRVAGMAAKQAYVVHE
GVEYDVEVDTTHKESIECAWAIAAHVVP
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain1qhx Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1qhx The Crystal Structures of Chloramphenicol Phosphotransferase Reveal a Novel Inactivation Mechanism
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S12 S13 G15 K16 S17 R129 R133 R136 E164 S165
Binding residue
(residue number reindexed from 1)		S12 S13 G15 K16 S17 R129 R133 R136 E164 S165
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.1.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016740 transferase activity
Biological Process
GO:0016310 phosphorylation
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1qhx, PDBe:1qhx, PDBj:1qhx
PDBsum1qhx
PubMed10835366
UniProtQ56148|CPT_STRVP Chloramphenicol 3-O phosphotransferase (Gene Name=SVEN_4064)

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