Structure of PDB 4v1t Chain B Binding Site BS03

Receptor Information
>4v1t Chain B (length=753) Species: 118322 (Lyngbya aestuarii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPLLQIQPHFHVEVIEPKQVYLLGEQANHALTGQLYCQILPLLNGQYTLE
QIVEKLDGEVPPEYIDYVLERLAEKGYLTEAAPELSSEVAAFWSELGIAP
PVAAEALRQPVTLTPVGNISEVTVAALTTALRDIGISVQTPTEAGSPTAL
NVVLTDDYLQPELAKINKQALESQQTWLLVKPVGSVLWLGPVFVPGKTGC
WDCLAHRLRGNREVEASVLRQKQGCLPTARATLPSTLQTGLQFAATEIAK
WIVKYHVNATAPGTVFFPTLDGKIITLNHSILDLKSHILIKRSQCPTCGD
PKILQHRGFEPLKLESRPKQHRGTTPEQTVQKYQHLISPVTGVVTELVRI
TDPANPLVHTYRAGHSFGSATSLRGLRNTLKHKSSGKGKTDSQSKASGLC
EAVERYSGIFQGDEPRKRATLAELGDLAIHPEQCLCFSDGQYANRETLNE
QATVAHDWIPQRFDASQAIEWTPVWSLTEQTHKYLPTALCYYHYPLPPEH
RFARGDSNGNAAGNTLEEAILQGFMELVERDGVALWWYNRLRRPAVDLGS
FNEPYFVQLQQFYRENDRDLWVLDLTADLGIPAFAGVSNRKTGSSERLIL
GFGAHLDPTIAILRAVTEVNQIGLELDKVPDENLKSDATDWLITEKLADH
PYLLPDTTQPLKTAQDYPKRWSDDIYTDVMTCVNIAQQAGLETLVIDQTR
PDIGLNVVKVTVPGMRHFWSRFGEGRLYDVPVKLGWLDEPLTEAQMNPTP
MPF
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 chain4v1t Chain B Residue 780 [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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PDB4v1t Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing
Resolution2.14 Å
Binding residue
(original residue number in PDB)		R344 K409 S419 C422 E423 E426 A534 N536 R636
Binding residue
(residue number reindexed from 1)		R322 K387 S397 C400 E401 E404 A512 N514 R614
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4v1t, PDBe:4v1t, PDBj:4v1t
PDBsum4v1t
PubMed26098679
UniProtA0YXD2

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