Structure of PDB 4ff3 Chain A Binding Site BS02

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

ATP

InChI

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

ZKHQWZAMYRWXGA-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O

Formula

C10 H16 N5 O13 P3

Name

ADENOSINE-5'-TRIPHOSPHATE

PDB chain

4ff3 Chain A Residue 1201 [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 G560 T562 N563 G564 Y612 R666 K670 Y678 D951
Binding residue (residue number reindexed from 1)	R419 G555 T557 N558 G559 Y607 R661 K665 Y673 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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