Structure of PDB 4ff3 Chain A Binding Site BS05

Receptor Information

>4ff3 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 ID

5GP

InChI

InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChIKey

RQFCJASXJCIDSX-UUOKFMHZSA-N

SMILES

Software	SMILES
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N

Formula

C10 H14 N5 O8 P

Name

GUANOSINE-5'-MONOPHOSPHATE

PDB chain

4ff3 Chain C Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4ff3 Watching the Bacteriophage N4 RNA Polymerase Transcription by Time-dependent Soak-trigger-freeze X-ray Crystallography.
Resolution	1.997 Å
Binding residue (original residue number in PDB)	R424 K437 R440 F950 D951
Binding residue (residue number reindexed from 1)	R419 K432 R435 F945 D946
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.7.6: DNA-directed RNA polymerase.

External links

PDB	RCSB:4ff3, PDBe:4ff3, PDBj:4ff3
PDBsum	4ff3
PubMed	23235152
UniProt	Q859P9\|RPOLV_BPN4 Virion DNA-directed RNA polymerase (Gene Name=50)

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