Structure of PDB 4ff4 Chain A Binding Site BS02

Receptor Information
>4ff4 Chain A (length=1095) Species: 10752 (Enquatrovirus N4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EELKEGIDAVYPSLVGTADSKAEGIKNYFKLSFTLPEEQKSRTVGSEAPL
KDVAQALSSRARYELFTEKETANPAFNGEVIKRYKELMEHGEGIADILRS
RLAKFLNTKDVGKRFAQGTEANRWVGGKLLNIVEQDGDTFKYNEQLLQTA
VLAGLQWRLTATSNTAIKDAKDVAAITGIDQALLPEGLVEQFDTGMTLTE
AVSSLAQKIESYWGLSRNPNAPLGYTKGIPTAMAAEILAAFVESTDVVEN
IVDMSEIDPDNKKTIGLYTITELDSFDPINSFPTAIEEAVLVNPTEKMFF
GDDIPPVANTQLRNPAVRNTPEQKAALKAEQATEFYVHTPMVQFYETLGK
DRILELMGAGTLNKELLNDNHAKSLEGKNRSVEDSYNQLFSVIEQVRAQS
EDISTVPIHYAYNMTRVGRMQMLGKYNPQSAKLVREAILPTKATLDLSNQ
NNEDFSAFQLGLAQALDIKVHTMTREVMSDELTKLLEGNLKPAIDMMVEF
NTTGSLPENAVDVLNTALGDRKSFVALMALMEYSRYLVAEDKSAFVTPLY
VEADGVTNGPINAMMLMTGGLFTPDWIRNIAKGGLFIGSPNKTMNEHRST
ADNNDLYQASTNALMESLGKLRSNYASNMPIQSQIDSLLSLMDLFLPDIN
LGENGALELKRGIAKNPLTITIYGSGARGIAGKLVSSVTDAIYERMSDVL
KARAKDPNISAAMAMFGKQAASEAHAEELLARFLKDMETLTSTVPVKRKG
VLELQSTGTGAKGKINPKTYTIKGEQLKALQENMLHFFVEPLRNGITQTV
GESLVYSTEQLQKATQIQSVVLEDMFKQRVQEKLAEKAKDPTWKKGDFLT
QKELNDIQASLNNLAPMIETGSQTFYIAGSENAEVANQVLATNLDDRMRV
PMSIYAPAQAGVAGIPFMTIGTGDGMMMQTLSTMKGAPKNTLKIFDGMNI
GLNDITDASRKANEAVYTSWQGNPIKNVYESYAKFMKNVDFSKLSPEALE
AIGKSALEYDQRENATVDDIANAASLIERNLRNIALGVDIRHKVLDKVNL
SIDQMAAVGAPYQNNGKIDLSNMTPEQQADELNKLFREELEARKQ
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4ff4 Chain A Residue 1201 [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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PDB4ff4 Watching the Bacteriophage N4 RNA Polymerase Transcription by Time-dependent Soak-trigger-freeze X-ray Crystallography.
Resolution2.026 Å
Binding residue
(original residue number in PDB)		R424 G564 T674 Y678 D951
Binding residue
(residue number reindexed from 1)		R419 G559 T669 Y673 D946
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.6: DNA-directed RNA polymerase.
External links
PDB RCSB:4ff4, PDBe:4ff4, PDBj:4ff4
PDBsum4ff4
PubMed23235152
UniProtQ859P9|RPOLV_BPN4 Virion DNA-directed RNA polymerase (Gene Name=50)

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