Structure of PDB 5tsg Chain C Binding Site BS02

Receptor Information
>5tsg Chain C (length=381) Species: 269799 (Geobacter metallireducens GS-15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APVVKLVNLILTDAIKRKASDIHIEPYERSFRVRYRIDGVLYEVMKPPLK
LKNAITSRIKIMAELDIAERRLPQDGRIKIMDYRVSVLPTLFGEKVVLRL
LDKSNLQLDMTKLGYEPDALHYFKEAIHKPFGMVLVTGPTGSGKTVSLYS
ALGELNKTTENISTAEDPVEFNFAGINQVQMHEDIGLNFAAALRSFLRQD
PDIIMIGEIRDFETAEIAIKAALTGHLVLSTLHTNDAPATINRLLNMGVE
PFLVASAVNLITAQRLARRVCSECKQPEEIPIQALIDAGVSPDEGPSYVC
YKGTGCVKCNNTGYKGRVGFYQVMPMLEEIRELILNGANTAEIKRESMRL
GIKTMRQSGLTKLKEGVTSFEEVLRVTVADD
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 chain5tsg Chain C Residue 602 [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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PDB5tsg The molecular mechanism of the type IVa pilus motors.
Resolution3.4011 Å
Binding residue
(original residue number in PDB)		Q294 L300 T327 G328 G330 K331 T332 V333 L453 R504
Binding residue
(residue number reindexed from 1)		Q107 L113 T140 G141 G143 K144 T145 V146 L266 R317
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0009297 pilus assembly
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5tsg, PDBe:5tsg, PDBj:5tsg
PDBsum5tsg
PubMed28474682
UniProtQ39VU7

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