Structure of PDB 2ioa Chain A

Receptor sequence

>2ioaA (length=589) Species: 562 (Escherichia coli)

APFGTLLGYAPGGVAIYSSDYVFRSYIDDEYMGHKWQCVEFARRFLFLNY
GVVFTDVGMAWEIFSLRFLREVVNDNILPLQAFPNGSPRAPVAGALLIWD
KGGEFKDTGHVAIITQLHGNKVRIAEQNVIHSPLPQGQQWTRELEMVVEN
GCYTLKDTFDDTTILGWMIQTEDTEYSLPQPEIAGELLKISGARLENKGQ
FDGKWLDEKDPLQNAYVQANGQVINQDPYHYYTITESAEQELIKATNELH
LMYLHATDKVLKDDNLLALFDIPKILWPRLRLSWQRRRHHMITGRMDFCM
DERGLKVYEYNADSASCHTEAGLILERWAEQGYKGNGFNPAEGLINELAG
AWKHSRARPFVHIMQDKDIEENYHAQFMEQALHQAGFETRILRGLDELGW
QLIDGEGRLVNCVWKTWAWETAFDQIREVFAAVPIRTGHPQNEVRLIDVL
LRPEVLVFEPLWTVIPGNKAILPILWSLFPHHRYLLDTDFTVNDELVKTG
YAVKPIAGRCGSNIDLVSHHEEVLDKTSGKFAEQKNIYQQLWCLPKVDGK
YIQVCTFTVGGNYGGTCLRGDESLVIKKESDIEPLIVVK

3D structure

• PDB: 2ioa Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
• Chain: A
• Resolution: 2.8 Å

Enzymatic activity

• Enzyme Commision number: 3.5.1.78: glutathionylspermidine amidase.
  6.3.1.8: glutathionylspermidine synthase.

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	MG	A	E330 N332 R538	E309 N311 R509
BS02	MG	A	D318 E330	D297 E309
BS03	GGA	A	N241 R316 E330 N332 S335 A336 S337 D387 E391 E392 W442 A443 T446 R538 C539 R598 K607	N220 R295 E309 N311 S314 A315 S316 D366 E370 E371 W417 A418 T421 R509 C510 R569 K578	PDBbind-CN: -logKd/Ki=5.49,Ki=3.2uM
BS04	ADP	A	Y329 E330 K498 A531 K533 R538 C539 G540 I543 Q568 L570 W571 Q582 I605	Y308 E309 K469 A502 K504 R509 C510 G511 I514 Q539 L541 W542 Q553 I576

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0008884 glutathionylspermidine amidase activity
• GO:0008885 glutathionylspermidine synthase activity
• GO:0016787 hydrolase activity
• GO:0016874 ligase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006749 glutathione metabolic process
• GO:0008216 spermidine metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:2ioa, PDBe:2ioa, PDBj:2ioa
• PDBsum: 2ioa
• PubMed: 17124497
• UniProt: P0AES0|GSP_ECOLI Bifunctional glutathionylspermidine synthetase/amidase (Gene Name=gss)