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Receptor Information

>7e3w Chain A (length=238) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GLVPRGSHMMKLSFHGQSTIYLEGNNKKVIVDPFISNNPKCDLNIETVQV
DYIVLTHGHFDHFGDVVELAKKTGATVIGSAEMADYLSSYHGVENVHGMN
IGGKANFDFGSVKFVQAFHSSSFTHENGIPVYLGMPMGIVFEVEGKTIYH
TGDTGLFSDMSLIAKRHPVDVCFVPIGDNFTMGIDDASYAINEFIKPKIS
VPIHYDTFPLIEQDPQQFKDAVNVGDVQILKPGESVQF

Ligand ID

CMP

InChI

InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey

IVOMOUWHDPKRLL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N
ACDLabs 10.04	O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N
CACTVS 3.341	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O

Formula

C10 H12 N5 O6 P

Name

ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP

PDB chain

7e3w Chain A Residue 301 [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	7e3w Metallo beta-lactamase fold protein
Resolution	1.55 Å
Binding residue (original residue number in PDB)	F51 F199 L201
Binding residue (residue number reindexed from 1)	F60 F208 L210
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0016787	hydrolase activity

PDB	RCSB:7e3w, PDBe:7e3w, PDBj:7e3w
PDBsum	7e3w
PubMed	33950015
UniProt	Q2FXM0\|Y1815_STAA8 UPF0173 metal-dependent hydrolase SAOUHSC_01815 (Gene Name=SAOUHSC_01815)

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Structure of PDB 7e3w Chain A Binding Site BS01