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Receptor Information

>4zgl Chain I (length=102) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MNVFEKIIQGEIPCSKILENERFLSFYDINPKAKVHALVIPKQSIQDFNG
ITPELMAQMTSFIFEVVEKLGIKEKGYKLLTNVGKNAGQEVMHLHFHILS
GD

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

4zgl Chain I 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	4zgl Crystal structure of HINT from Helicobacter pylori.
Resolution	2.95 Å
Binding residue (original residue number in PDB)	D28 I29 E90 H95 H97
Binding residue (residue number reindexed from 1)	D28 I29 E90 H95 H97
Annotation score	5

Enzyme Commision number

	Molecular Function
GO:0003824	catalytic activity
GO:0043530	adenosine 5'-monophosphoramidase activity

	Biological Process
GO:0055130	D-alanine catabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

PDB	RCSB:4zgl, PDBe:4zgl, PDBj:4zgl
PDBsum	4zgl
PubMed	26750483
UniProt	P64382\|YHIT_HELPY Uncharacterized HIT-like protein HP_0404 (Gene Name=HP_0404)

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Structure of PDB 4zgl Chain I Binding Site BS01