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Receptor Information

>4v1u Chain B (length=743) 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
GNREVEASVLRQKQAQGCLPTARATLPSTLQTGLQFAATEIAKWIVKYHV
NATAPGTVFFPTLDGKIITLNHSILDLKSHILIKRSQCPTCGDPKILQHR
GFEPLKLESRPKQGHRGTTPEQTVQKYQHLISPVTGVVTELVRITDPANP
LVHTYRAGHGSATSLRGLRNTLKHKSSGKGKTDSQSKASGLCEAVERYSG
IFQGDEPRKRATLAELGDLAIHPEQCLCFSDGQYANRETLNEQATVAHDW
IPQRFDASQAIEWTPVWSLTEQTHKYLPTALCYYHYPLPPEHRFARGDSN
GNAAGNTLEEAILQGFMELVERDGVALWWYNRLRRPAVDLGSFNEPYFVQ
LQQFYRENDRDLWVLDLTADLGIPAFAGVSNRKTSERLILGFGAHLDPTI
AILRAVTEVNQIGLELDKVPDENLKSDATDWLITEKLADHPYLLPDTTQP
LKTAQDYPKRWSDDIYTDVMTCVNIAQQAGLETLVIDQTRPDIGLNVVKV
TVPGMRHFWSRFGEGRLYDVPVKLGWLDEPLTEAQMNPTPMPF

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 B 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 S419 C422 E423 E426 A533 A534 N536 R636
Binding residue (residue number reindexed from 1)	R316 K379 S389 C392 E393 E396 A503 A504 N506 R604
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 B Binding Site BS03