Structure of PDB 4zcm Chain A Binding Site BS01

Receptor Information
>4zcm Chain A (length=561) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIEKLRNIAIIAHVDHGKTTLVDKLLQQSGTILAKNTAIKWNDYRINIVD
TPGHADFGGEVERVMSMVDSVLLVVDAFDGPMPQTRFVTKKAFAYGLKPI
VVINKVDRPGARPDWVVDQVFDLFVNLDATDEQLDFPIVYASALNGIAGL
DHEDMAEDMTPLYQAIVDHVPAPDVDLDGPFQMQISQLDYNSYVGVIGIG
RIKRGKVKPNQQVTIIDSEGKTRNAKVGKVLGHLGLERIETDLAEAGDIV
AITGLGELNISDTVCDTQNVEALPALSVDEPTVSMFFCVNTSPFCGKEGK
FVTSRQILDRLNKELVHNVALRVEETEDADAFRVSGRGELHLSVLIENMR
REGFELAVSRPKVIFREIDGRKQEPYENVTLDVEEQHQGSVMQALGERKG
DLKNMNPDGKGRVRLDYVIPSRGLIGFRSEFMTMTSGTGLLYSTFSHYDD
VRPGEVGQRQNGVLISNGQGKAVAFALFGLQDRGKLFLGHGAEVYEGQII
GIHSRSNDLTVNCLTVLVPPIRMTLEQALEFIDDDELVEVTPTSIRIRKR
HLTENDRRRAN
Ligand information
Ligand IDG4P
InChIInChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKeyBUFLLCUFNHESEH-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=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)=O)[C@@H](O[P@@](O)(=O)O[P](O)(O)=O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
FormulaC10 H17 N5 O17 P4
NameGUANOSINE-5',3'-TETRAPHOSPHATE;
guanosine tetraphosphate;
ppGpp
ChEMBL
DrugBankDB04022
ZINCZINC000008217069
PDB chain4zcm Chain A Residue 1003 [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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PDB4zcm Structural and Functional Analysis of BipA, a Regulator of Virulence in Enteropathogenic Escherichia coli.
Resolution3.31 Å
Binding residue
(original residue number in PDB)		V14 D15 H16 G17 K18 T19 T20 N128 K129 S166 L168
Binding residue
(residue number reindexed from 1)		V14 D15 H16 G17 K18 T19 T20 N104 K105 S142 L144
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) D15 K18 T19 H78
Catalytic site (residue number reindexed from 1) D15 K18 T19 H54
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0000049 tRNA binding
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0019843 rRNA binding
GO:0043022 ribosome binding
GO:0097216 guanosine tetraphosphate binding
Biological Process
GO:0000027 ribosomal large subunit assembly
GO:0005975 carbohydrate metabolic process
GO:0042254 ribosome biogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:1990904 ribonucleoprotein complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4zcm, PDBe:4zcm, PDBj:4zcm
PDBsum4zcm
PubMed26163516
UniProtP0A3B2|BIPA_ECO27 Large ribosomal subunit assembly factor BipA (Gene Name=bipA)

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