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2IOA

E. coli Bifunctional glutathionylspermidine synthetase/amidase Incomplex with Mg2+ and ADP and phosphinate inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0005829cellular_componentcytosol
A0006749biological_processglutathione metabolic process
A0008216biological_processspermidine metabolic process
A0008884molecular_functionglutathionylspermidine amidase activity
A0008885molecular_functionglutathionylspermidine synthase activity
A0016787molecular_functionhydrolase activity
A0016874molecular_functionligase activity
A0046872molecular_functionmetal ion binding
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0005829cellular_componentcytosol
B0006749biological_processglutathione metabolic process
B0008216biological_processspermidine metabolic process
B0008884molecular_functionglutathionylspermidine amidase activity
B0008885molecular_functionglutathionylspermidine synthase activity
B0016787molecular_functionhydrolase activity
B0016874molecular_functionligase activity
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE MG A 5001
ChainResidue
AGLU330
AASN332
AADP3001
AGGA6001

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG A 5002
ChainResidue
AASP318
AGLU330
AADP3001
AHOH4190
AGGA6001

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 5003
ChainResidue
BGLU330
BASN332
BADP3002
BHOH4024
BGGA6002

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MG B 5004
ChainResidue
BASP318
BGLU330
BADP3002
BHOH4293
BGGA6002

site_idAC5
Number of Residues29
DetailsBINDING SITE FOR RESIDUE GGA A 6001
ChainResidue
AASN241
AARG316
AASP318
AGLU330
AASN332
ASER335
AALA336
ASER337
AASP387
AGLU391
AGLU392
ATHR441
ATRP442
AALA443
ATHR446
AARG538
ACYS539
AARG598
ALYS607
AASP610
AADP3001
AHOH4001
AHOH4002
AHOH4176
AHOH4190
AHOH4241
AHOH4315
AMG5001
AMG5002

site_idAC6
Number of Residues26
DetailsBINDING SITE FOR RESIDUE GGA B 6002
ChainResidue
BARG316
BASP318
BGLU330
BASN332
BSER335
BALA336
BSER337
BGLU341
BASP387
BGLU391
BGLU392
BTHR441
BTRP442
BALA443
BTHR446
BARG538
BCYS539
BARG598
BLYS607
BSER609
BASP610
BADP3002
BHOH4029
BHOH4467
BMG5003
BMG5004

site_idAC7
Number of Residues23
DetailsBINDING SITE FOR RESIDUE ADP A 3001
ChainResidue
AASP318
ATYR329
AGLU330
ALYS498
AALA531
ALYS533
AARG538
ACYS539
AGLY540
AILE543
AGLN568
AGLN569
ALEU570
ATRP571
ALEU573
AGLN582
ALEU603
AILE605
AHOH4018
AHOH4190
AMG5001
AMG5002
AGGA6001

site_idAC8
Number of Residues20
DetailsBINDING SITE FOR RESIDUE ADP B 3002
ChainResidue
BGLU330
BLYS498
BALA531
BLYS533
BARG538
BCYS539
BGLY540
BGLN568
BGLN569
BTRP571
BGLN582
BLEU603
BVAL604
BILE605
BHOH4293
BMG5003
BMG5004
BGGA6002
BASP318
BTYR329

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: S-(gamma-glutamyl-cysteinyl-glycyl)-cysteine intermediate => ECO:0000269|PubMed:9398217
ChainResidueDetails
ACYS59
BCYS59

site_idSWS_FT_FI2
Number of Residues38
DetailsBINDING:
ChainResidueDetails
AVAL78
AASN149
AARG316
AASP318
AGLU330
AASN332
ASER335
AGLU391
AGLU392
ATHR446
ALYS498
ALYS533
ACYS539
AGLN568
AGLN582
ALEU603
AASP610
BGLN58
BARG64
BVAL78
BASN149
BARG316
BASP318
BGLU330
BASN332
BSER335
BGLU391
BGLU392
BTHR446
BLYS498
BLYS533
BCYS539
BGLN568
BGLN582
BLEU603
BASP610
AGLN58
AARG64

site_idSWS_FT_FI3
Number of Residues2
DetailsSITE: Increases nucleophilicity of active site Cys; for amidase activity
ChainResidueDetails
AHIS131
BHIS131

site_idSWS_FT_FI4
Number of Residues2
DetailsSITE: Transition state stabilizer; for synthetase activity
ChainResidueDetails
AARG316
BARG316

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Cysteine sulfenic acid (-SOH); transient => ECO:0000269|PubMed:20530482
ChainResidueDetails
ACYS59
BCYS59

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PDB entries from 2024-05-29

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