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Receptor Information

>4v1u Chain A (length=746) Species: 118322 (Lyngbya aestuarii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LLQIQPHFHVEVIEPKQVYLLGEQANHALTGQLYCQILPLLNGQYTLEQI
VEKLDGEVPPEYIDYVLERLAEKGYLTEAAPELSSEVAAFWSELGIAPPV
AAEALRQPVTLTPVGNISEVTVAALTTALRDIGISVQTALNVVLTDDYLQ
PELAKINKQALESQQTWLLVKPVGSVLWLGPVFVPGKTGCWDCLAHRLRG
NREVEASVLRQKQAQGCLPTARATLPSTLQTGLQFAATEIAKWIVKYHVN
ATAPGTVFFPTLDGKIITLNHSILDLKSHILIKRSQCPTCGDPKILQHRG
FEPLKLESRPKQGHRGTTPEQTVQKYQHLISPVTGVVTELVRITDPANPL
VHTYRAGHSFGSATSLRGLRNTLKHKSSGKGKTDSQSKASGLCEAVERYS
GIFQGDEPRKRATLAELGDLAIHPEQCLCFSDGQYANRETLNEQATVAHD
WIPQRFDASQAIEWTPVWSLTEQTHKYLPTALCYYHYPLPPEHRFARGDS
NGNAAGNTLEEAILQGFMELVERDGVALWWYNRLRRPAVDLGSFNEPYFV
QLQQFYRENDRDLWVLDLTADLGIPAFAGVSNRKTGSSERLILGFGAHLD
PTIAILRAVTEVNQIGLELDKVPDENLKSDATDWLITEKLADHPYLLPDT
TQPLKTAQDYPKRWSDDIYTDVMTCVNIAQQAGLETLVIDQTRPDIGLNV
VKVTVPGMRHFWSRFGEGRLYDVPVKLGWLDEPLTEAQMNPTPMPF

Ligand ID

AMP

InChI

InChI=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

InChIKey

UDMBCSSLTHHNCD-KQYNXXCUSA-N

SMILES

Software	SMILES
CACTVS 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N

Formula

C10 H14 N5 O7 P

Name

ADENOSINE MONOPHOSPHATE

PDB chain

4v1u Chain A Residue 777 [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	4v1u Structural Analysis of Leader Peptide Binding Enables Leader-Free Cyanobactin Processing.
Resolution	2.86 Å
Binding residue (original residue number in PDB)	R344 K409 Q415 S419 C422 E423 E426 A533 A534 N536 R636
Binding residue (residue number reindexed from 1)	R315 K380 Q386 S390 C393 E394 E397 A504 A505 N507 R607
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0000166	nucleotide binding
GO:0046872	metal ion binding

PDB	RCSB:4v1u, PDBe:4v1u, PDBj:4v1u
PDBsum	4v1u
PubMed	26098679
UniProt	A0YXD2

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Structure of PDB 4v1u Chain A Binding Site BS03