Structure of PDB 2ioa Chain B

Receptor sequence

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

FGTLLGYAPGGVAIYSSDYSVFRSYIDDEYMGHKWQCVEFARRFLFLNYG
VVFTDVGMAWEIFSLRFLREVVNDNILPLQAFPNGSPRAPVAGALLIWDK
GGEFKDTGHVAIITQLHGNKVRIAEQNVIHSPLPQGQQWTRELEMVVENG
CYTLKDTFDDTTILGWMIQTEDTEYSLPQPEIAGELLKISGARLENKGQF
DGKWLDEKDPLQNAYVQANGQVINQDPYHYYTITESAEQELIKATNELHL
MYLHATDKVLKDDNLLALFDIPKILWPRLRLSWQRRRHHMITGRMDFCMD
ERGLKVYEYNADSASCHTEAGLILERWAEQGYKGNGFNPAEGLINELAGA
WKHSRARPFVHIMQDKDIEENYHAQFMEQALHQAGFETRILRGLDELGWG
QLIDGEGRLVNCVWKTWAWETAFDQIREVFAAVPIRTGHPQNEVRLIDVL
LRPEVLVFEPLWTVIPGNKAILPILWSLFPHHRYLLDTDFTVNDELVKTG
YAVKPIAGRCGSNIDLVSHHEEVLDKTSGKFAEQKNIYQQLWCLPKVDGK
YIQVCTFTVGGNYGGTCLRGDESLVIKKESDIEPLIVVK

3D structure

• PDB: 2ioa Dual binding sites for translocation catalysis by Escherichia coli glutathionylspermidine synthetase
• Chain: B
• 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	B	E330 N332 R538	E308 N310 R509
BS02	MG	B	D318 E330	D296 E308
BS03	GGA	B	R316 E330 N332 S335 A336 S337 E341 D387 E391 E392 T441 W442 A443 T446 C539 R598 K607	R294 E308 N310 S313 A314 S315 E319 D365 E369 E370 T416 W417 A418 T421 C510 R569 K578
BS04	ADP	B	Y329 E330 K498 A531 K533 R538 G540 Q568 W571 Q582 L603 I605	Y307 E308 K469 A502 K504 R509 G511 Q539 W542 Q553 L574 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)