Structure of PDB 4iwx Chain A Binding Site BS01

Receptor Information
>4iwx Chain A (length=294) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMKIAILSRDGTLYSCKRLREAAIQRGHLVEILDPLSCYMNINPAASSI
HYKGRKLPHFDAVIPRIGTAITFYGTAALRQFEMLGSYPLNESVAIARAR
DKLRSMQLLARQGIDLPVTGIAHSPDDTSDLIDMVGGAPLVVKLVEGTQG
IGVVLAETRQAAESVIDAFRGLNAHILVQEYIKEAQGCDIRCLVVGDEVV
AAIERRAKEGDFRSNLHRGGAASVASITPQEREIAIKAARTMALDVAGVD
ILRANRGPLVMEVNASPGLEGIEKTTGIDIAGKMIRWIERHATT
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 chain4iwx Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4iwx Structure and function of Escherichia coli RimK, an ATP-grasp fold, l-glutamyl ligase enzyme.
Resolution2.854 Å
Binding residue
(original residue number in PDB)		V139 K141 E178 Y179 I180 K181 D187 R211 S212 N213 M259 E260
Binding residue
(residue number reindexed from 1)		V141 K143 E180 Y181 I182 K183 D189 R213 S214 N215 M261 E262
Annotation score4
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0008168 methyltransferase activity
GO:0016874 ligase activity
GO:0018169 ribosomal S6-glutamic acid ligase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006412 translation
GO:0009432 SOS response
GO:0018410 C-terminal protein amino acid modification
GO:0036211 protein modification process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4iwx, PDBe:4iwx, PDBj:4iwx
PDBsum4iwx
PubMed23609986
UniProtP0C0U4|RIMK_ECOLI Ribosomal protein bS6--L-glutamate ligase (Gene Name=rimK)

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