Structure of PDB 4czf Chain A Binding Site BS01

Receptor Information
>4czf Chain A (length=329) Species: 155892 (Caulobacter vibrioides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISNDIAIDLGTANTLIYQKGKGIVLNEPSVVALRNKVVHAVGIEAKQMLG
RTPGHMEAIRPMRDGVIADFEVAEEMIKYFIRKVHNRKGSGNPKVIVCVP
SGATAVERRAINDSCLNAGARRVGLIDEPMAAAIGAGLPIHEPTGSMVVD
IGGGTTEVAVLSLSGIVYSRSVRVGGDKMDEAIISYMRRHHNLLIGETTA
ERIKKEIGTARAPGLSIDVKGRDLMQGVPREVRISEKQAADALAEPVGQI
VEAVKVALEATPPELASDIADKGIMLTGGGALLRGLDAEIRDHTGLPVTV
ADDPLSCVALGCGKVLEHPKWMKGVLEST
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 chain4czf Chain A Residue 1347 [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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PDB4czf Bacterial Actin Mreb Forms Antiparallel Double Filaments.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		G18 T19 A20 N21 G164 G165 G188 E213 K216 K217 G294 G295 L298 L299
Binding residue
(residue number reindexed from 1)		G10 T11 A12 N13 G152 G153 G176 E201 K204 K205 G278 G279 L282 L283
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0000902 cell morphogenesis
GO:0008360 regulation of cell shape
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:4czf, PDBe:4czf, PDBj:4czf
PDBsum4czf
PubMed24843005
UniProtA0A0H3C7V4|MREB_CAUVN Cell shape-determining protein MreB (Gene Name=mreB)

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