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Receptor Information

>4fry Chain A (length=136) Species: 398577 (Burkholderia ambifaria MC40-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TTVAQILKAKPDSGRTIYTVTKNDFVYDAIKLMAEKGIGALLVVDGDDIA
GIVTERDYARKVVLQERSSKATRVEEIMTAKVRYVEPSQSTDECMALMTE
HRMRHLPVLDGGKLIGLISIGDLVKSVIADQQFTIS

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

4fry Chain A Residue 202 [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	4fry Combining functional and structural genomics to sample the essential Burkholderia structome.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	I54 T56 D59 T81 V84 R85 M105 R106 H107
Binding residue (residue number reindexed from 1)	I52 T54 D57 T79 V82 R83 M103 R104 H105
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0000166	nucleotide binding

PDB	RCSB:4fry, PDBe:4fry, PDBj:4fry
PDBsum	4fry
PubMed	23382856
UniProt	B1YXI0

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Structure of PDB 4fry Chain A Binding Site BS02