Structure of PDB 4v1t Chain A Binding Site BS03

Receptor Information
>4v1t Chain A (length=748) Species: 118322 (Lyngbya aestuarii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLQIQPHFHVEVIEPKQVYLLGEQANHALTGQLYCQILPLLNGQYTLEQI
VEKLDGEVPPEYIDYVLERLAEKGYLTEAAPELSSEVAAFWSELGIAPPV
AAEALRQPVTLTPVGNISEVTVAALTTALRDIGISVQTTALNVVLTDDYL
QPELAKINKQALESQQTWLLVKPVGSVLWLGPVFVPGKTGCWDCLAHRLR
GNREVEASVLRQKQAQQGCLPTARATLPSTLQTGLQFAATEIAKWIVKYH
VNATAPGTVFFPTLDGKIITLNHSILDLKSHILIKRSQCPTCGDPKILQH
RGFEPLKLESRPKQGHRGTTPEQTVQKYQHLISPVTGVVTELVRITDPAN
PLVHTYRAGHSFGSATSLRGLRNTLKHKSSGKGKTDSQSKASGLCEAVER
YSGIFQGDEPRKRATLAELGDLAIHPEQCLCFSDGQYANRETLNEQATVA
HDWIPQRFDASQAIEWTPVWSLTEQTHKYLPTALCYYHYPLPPEHRFARG
DSNGNAAGNTLEEAILQGFMELVERDGVALWWYNRLRRPAVDLGSFNEPY
FVQLQQFYRENDRDLWVLDLTADLGIPAFAGVSNRKTGSSERLILGFGAH
LDPTIAILRAVTEVNQIGLELDKVPDENLKSDATDWLITEKLADHPYLLP
DTTQPLKTAQDYPKRWSDDIYTDVMTCVNIAQQAGLETLVIDQTRPDIGL
NVVKVTVPGMRHFWSRFGEGRLYDVPVKLGWLDEPLTEAQMNPTPMPF
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 A 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 Q415 S419 C422 E423 E426 A533 A534 N536 Q544 R636
Binding residue
(residue number reindexed from 1)		R317 K382 Q388 S392 C395 E396 E399 A506 A507 N509 Q517 R609
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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