Structure of PDB 2zgz Chain A Binding Site BS02

Receptor Information
>2zgz Chain A (length=320) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLVFIDDGSTNIKLQWQESDGTIKQHISPNSFKREWAVSFGDKKVFNYTL
NGEQYSFDPISPDAVVTTNIAWQYSDVNVVAVHHALLTSGLPVSEVDIVC
TLPLTEYYDRNNQPNTENIERKKANFRKKITLNGGDTFTIKDVKVMPESI
PAGYEVLQELDELDSLLIIDLGGTTLDISQVMGKLSGISKIYGDSSLGVS
LVTSAVKDALSLARTKGSSYLADDIIIHRKDNNYLKQRINDENKISIVTE
AMNEALRKLEQRVLNTLNEFSGYTHVMVIGGGAELICDAVKKHTQIRDER
FFKTNNSQYDLVNGMYLIGN
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[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=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain2zgz Chain A Residue 323 [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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PDB2zgz Molecular structure of the ParM polymer and the mechanism leading to its nucleotide-driven dynamic instability
Resolution2.25 Å
Binding residue
(original residue number in PDB)		G8 S9 T10 N11 K13 G172 G173 T174 T175 G281 E284 Q308
Binding residue
(residue number reindexed from 1)		G8 S9 T10 N11 K13 G172 G173 T174 T175 G281 E284 Q308
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042802 identical protein binding
Biological Process
GO:0030541 plasmid partitioning

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2zgz, PDBe:2zgz, PDBj:2zgz
PDBsum2zgz
PubMed18188150
UniProtP11904|PARM_ECOLX Plasmid segregation protein ParM (Gene Name=parM)

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