Structure of PDB 7nih Chain B Binding Site BS01

Receptor Information
>7nih Chain B (length=522) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDLGRVIGELIDHRKLIISITSVFTLFAILYALLATPIYETDALIQIEQS
APETALLQSRMILGKTIDDLNLQIQIEQKYFPVIGRGLARLMGEKPGNID
ITRLYLPDSDDISNNTPSIILTVKDKENYSINSDGIQLNGVVGTLLNEKG
ISLLVNEIDAKPGDQFVITQLPRLKAISDLLKSFSVADLGKDTGMLTLTL
TGDNPKRISHILDSISQNYLAQNIAVRIIDNAVTDPNPVRPKKTIIIVIG
VVLGLIVSVVLVLFQVFLRRGIESPEQLEEIGINVYASIPISEWDTLLAV
GNPADLAVEAIRGLRTSLHFAMMEAKNNVLMISGASPSAGMTFISSNLAA
TIAITGKKVLFIDADLRKGYAHKMFGHKNDKGLSEFLSGQAAAEMIIDKV
EGGGFDYIGRGQIPPNPAELLMHPRFEQLLNWASQNYDLIIIDTPPILAV
TDAAIIGRYAGTCLLVARFEKNTVKEIDVSMKRFEQSGVVVKGCILNGVV
KKASSYYRYGHNHYGYSYYDKK
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 chain7nih Chain B Residue 1000 [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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PDB7nih The molecular basis of regulation of bacterial capsule assembly by Wzc.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		I474 S475 S537 G539 M540 T541 F542 Y569 R667 N696
Binding residue
(residue number reindexed from 1)		I291 S292 S338 G340 M341 T342 F343 Y370 R468 N497
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004713 protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0016310 phosphorylation
GO:0045226 extracellular polysaccharide biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7nih, PDBe:7nih, PDBj:7nih
PDBsum7nih
PubMed34272394
UniProtQ9X4B9

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