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Receptor Information

>5ds7 Chain A (length=91) Species: 75379 (Thiomonas intermedia K12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IKLYPLKKLEIILEGAHKEFATDLLDRAGVKGYTIVGNLSGKGSHGMYEA
LIMIIAAVPEELVGPLLEGFQPFFEAHSGVVFVHDIQVGRP

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

5ds7 Chain B Residue 201 [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	5ds7 A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	K45 G46 S47 Y51 L63 S90 G91
Binding residue (residue number reindexed from 1)	K42 G43 S44 Y48 L51 S78 G79
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0000166	nucleotide binding
GO:0030234	enzyme regulator activity

	Biological Process
GO:0006808	regulation of nitrogen utilization

PDB	RCSB:5ds7, PDBe:5ds7, PDBj:5ds7
PDBsum	5ds7
PubMed	27464895
UniProt	D5X329

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Structure of PDB 5ds7 Chain A Binding Site BS02