Structure of PDB 5obw Chain A Binding Site BS01

Receptor Information
>5obw Chain A (length=371) Species: 243273 (Mycoplasmoides genitalium G37) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADNGLIIGIDLGTTNSCVSVMEGGRPVVLENPEGKRTTPSIVSYKNNEII
VGDAAKRQMVTNPNTIVSIKRLMGTSNKVKVQNADGTTKELSPEQVSAQI
LSYLKDFAEKKIGKKISRAVITVPAYFNDAERNATKTAGKIAGLNVERII
NEPTAAALAYGIDKASREMKVLVYDLGGGTFDVSLLDIAEGTFEVLATAG
DNRLGGDDWDNKIIEYISAYIAKEHQGLNLSKDKMAMQRLKEAAERAKIE
LSAQLETIISLPFLTVTQKGPVNVELKLTRAKFEELTKPLLERTRNPISD
VIKEAKIKPEEINEILLVGGSTRMPAVQKLVESMVPGKKPNRSINPDEVV
AIGAAIQGGVLRGDLEHHHHH
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5obw Chain A Residue 402 [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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PDB5obw The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		G14 T16 N17 G179 G180 G208 E247 K250 I251 S254 G321 G322 R325
Binding residue
(residue number reindexed from 1)		G12 T14 N15 G177 G178 G206 E245 K248 I249 S252 G319 G320 R323
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0140662 ATP-dependent protein folding chaperone

View graph for
Molecular Function
External links
PDB RCSB:5obw, PDBe:5obw, PDBj:5obw
PDBsum5obw
PubMed29520883
UniProtP47547|DNAK_MYCGE Chaperone protein DnaK (Gene Name=dnaK)

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