Structure of PDB 3ce6 Chain A

Receptor sequence

>3ce6A (length=486) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]

SLTPDVRNGIDFKIADLSLADFGRKELRIAEHEMPGLMSLRREYAEVQPL
KGARISGSLHMTVQTAVLIETLTALGAEVRWASCNIFSTQDHAAAAVVVG
PHGTPDEPKGVPVFAWKGETLEEYWWAAEQMLTWPDPDKPANMILDDGGD
ATMLVLRGMQYEKAGVVPPAEEDDPAEWKVFLNLLRTRFETDKDKWTKIA
ESVKGVTEETTTGVLRLYQFAAAGDLAFPAINVNDSVTKSKFDNKYGTRH
SLIDGINRGTDALIGGKKVLICGYGDVGKGCAEAMKGQGARVSVTEIDPI
NALQAMMEGFDVVTVEEAIGDADIVVTATGNKDIIMLEHIKAMKDHAILG
NIGHFDNEIDMAGLERSGATRVNVKPQVDLWTFGDTGRSIIVLSEGRLLN
LGNATGHPSFVMSNSFANQTIAQIELWTKNDEYDNEVYRLPKHLDEKVAR
IHVEALGGHLTKLTKEQAEYLGVDVEGPYKPDHYRY

3D structure

PDB

3ce6 Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.

Chain

Resolution

1.6 Å

3D
structure

Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]

Enzymatic activity

Catalytic site (original residue number in PDB)	H69 S92 S97 D156 E218 N243 K248 D252 N253 T257 H363 H416 S424 Q428
Catalytic site (residue number reindexed from 1)	H60 S83 S88 D147 E209 N234 K239 D243 N244 T248 H354 H407 S415 Q419
Enzyme Commision number	3.13.2.1: adenosylhomocysteinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ADN	A	H69 T71 Q73 D156 E218 T219 D252 H363 L410 G415 H416 M421	H60 T62 Q64 D147 E209 T210 D243 H354 L401 G406 H407 M412	MOAD: ic50~500uM
BS02	NAD	A	T219 T220 T221 N253 G284 D285 V286 T304 E305 I306 N310 T338 G339 N340 I343 I361 G362 H363 N409 H416	T210 T211 T212 N244 G275 D276 V277 T295 E296 I297 N301 T329 G330 N331 I334 I352 G353 H354 N400 H407
BS03	NAD	A	K489 Y493	K480 Y484

Gene Ontology

	Molecular Function
GO:0004013	adenosylhomocysteinase activity
GO:0005515	protein binding
GO:0016787	hydrolase activity
GO:0035375	zymogen binding
GO:0070403	NAD+ binding

	Biological Process
GO:0006730	one-carbon metabolic process
GO:0009087	methionine catabolic process
GO:0033353	S-adenosylmethionine cycle
GO:0035635	entry of bacterium into host cell
GO:0044650	adhesion of symbiont to host cell
GO:0046085	adenosine metabolic process
GO:0071269	L-homocysteine biosynthetic process

	Cellular Component
GO:0005576	extracellular region
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0009274	peptidoglycan-based cell wall

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:3ce6, PDBe:3ce6, PDBj:3ce6
PDBsum	3ce6
PubMed	18815415
UniProt	P9WGV3\|SAHH_MYCTU Adenosylhomocysteinase (Gene Name=ahcY)

[Back to BioLiP]