Structure of PDB 6wb7 Chain B Binding Site BS03

Receptor Information
>6wb7 Chain B (length=293) Species: 134676 (Actinoplanes sp. SE50/110) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTDVLVLGGAGVDTIAYVPELPLPFQDSYVVAAIEPRAGQTGDNVALGLH
TLGLRTMHVDVLGDDPEGDLVRAFHTRHGLPFAALPTAAGTKRAVNLVGP
DGRRLSLWDGSREAEEDRYPAALIAAHTAHARHVHVCITPPGQHVFGQLN
DLPVTVSTDLHNWDGAYEGFEVYAFNADLVFLSATALTDVAATMRRVIDR
GRARLVVATDGAHGGSVLVRGETEVRRYAAVAPEAPVVDSNGAGDAFVSG
FLFGHLAGEPLETCLRYGAIAGAYACTIPATRAGAIDRAALLR
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain6wb7 Chain B Residue 302 [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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PDB6wb7 The human microbiome encodes resistance to the antidiabetic drug acarbose.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		R107 T212 G214 G217 Y231 V234 P236 G245 G247 D248 A272 C279
Binding residue
(residue number reindexed from 1)		R104 T209 G211 G214 Y228 V231 P233 G242 G244 D245 A269 C276
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.1.187: acarbose 7(IV)-phosphotransferase.
Gene Ontology
Molecular Function
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0016310 phosphorylation
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:6wb7, PDBe:6wb7, PDBj:6wb7
PDBsum6wb7
PubMed34819672
UniProtQ8RMD4|ACBK_ACTS5 Acarbose 7(IV)-phosphotransferase (Gene Name=acbK)

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