Structure of PDB 1z5o Chain A Binding Site BS01

Receptor Information

>1z5o Chain A (length=235) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EFSMKIGIIGAMEEEVTLLRDKIENRQTISLGGCEIYTGQLNGTEVALLK
SGIGKVAAALGATLLLEHCKPDVIINTGSAGGLAPTLKVGDIVVSDEARY
HDADVTAFGYEYGQLPGCPAGFKADDKLIAAAEACIAELNLNAVRGLIVS
GDAFINGSVGLAKIRHNFPQAIAVEMEATAIAHVCHNFNVPFVVVRAISN
VADQQSHLSFDEFLAVAAKQSSLMVESLVQKLAHG

Ligand information

Ligand ID

MTA

InChI

InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1

InChIKey

WUUGFSXJNOTRMR-IOSLPCCCSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341	CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341	CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0	CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O

Formula

C11 H15 N5 O3 S

Name

5'-DEOXY-5'-METHYLTHIOADENOSINE

PDB chain

1z5o Chain A Residue 5233 [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	1z5o Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis
Resolution	2.0 Å
Binding residue (original residue number in PDB)	S76 A77 F151 I152 E172 M173 E174 N197 F207
Binding residue (residue number reindexed from 1)	S79 A80 F154 I155 E175 M176 E177 N200 F210
Annotation score	5

Enzymatic activity

Enzyme Commision number

3.2.2.9: adenosylhomocysteine nucleosidase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0008782	adenosylhomocysteine nucleosidase activity
GO:0008930	methylthioadenosine nucleosidase activity
GO:0016787	hydrolase activity
GO:0042802	identical protein binding
GO:0042803	protein homodimerization activity

	Biological Process
GO:0009086	methionine biosynthetic process
GO:0009116	nucleoside metabolic process
GO:0009164	nucleoside catabolic process
GO:0019284	L-methionine salvage from S-adenosylmethionine
GO:0019509	L-methionine salvage from methylthioadenosine
GO:0046124	purine deoxyribonucleoside catabolic process
GO:0110052	toxic metabolite repair

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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Molecular Function

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Cellular Component

External links

PDB	RCSB:1z5o, PDBe:1z5o, PDBj:1z5o
PDBsum	1z5o
PubMed	16109423
UniProt	P0AF12\|MTNN_ECOLI 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (Gene Name=mtnN)

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