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5BSR

Crystal structure of 4-coumarate:CoA ligase complexed with adenosine monophosphate and Coenzyme A

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0005524molecular_functionATP binding
A0009611biological_processresponse to wounding
A0009698biological_processphenylpropanoid metabolic process
A0009753biological_processresponse to jasmonic acid
A0016207molecular_function4-coumarate-CoA ligase activity
A0016405molecular_functionCoA-ligase activity
A0016874molecular_functionligase activity
A0050563molecular_functiontrans-feruloyl-CoA synthase activity
A0106286molecular_function(E)-caffeate-CoA ligase activity
A0106290molecular_functiontrans-cinnamate-CoA ligase activity
Functional Information from PDB Data
site_idAC1
Number of Residues19
Detailsbinding site for residue COA A 601
ChainResidue
ALYS77
ALYS397
ALYS443
AGLY444
APHE445
APHE506
AHOH704
AHOH732
AHOH739
AHOH825
AHOH983
ALEU110
APRO234
AHIS237
ATYR239
ALYS260
APHE261
AVAL281
AALA309

site_idAC2
Number of Residues18
Detailsbinding site for residue AMP A 602
ChainResidue
AHIS237
AALA309
AGLY332
AGLY334
AMET335
ATHR336
AASP420
AARG435
ALYS437
ALYS441
AGLN446
AGOL604
AHOH736
AHOH752
AHOH753
AHOH796
AHOH962
AHOH981

site_idAC3
Number of Residues8
Detailsbinding site for residue GOL A 603
ChainResidue
AGLN75
APRO76
AASP472
AGLU473
AGLN474
AGOL605
AHOH714
AHOH719

site_idAC4
Number of Residues7
Detailsbinding site for residue GOL A 604
ChainResidue
APRO311
AGLN331
AGLY358
APHE431
AILE432
AAMP602
AHOH746

site_idAC5
Number of Residues5
Detailsbinding site for residue GOL A 605
ChainResidue
AGLU351
AGLU473
AGOL603
AHOH751
AHOH903

site_idAC6
Number of Residues7
Detailsbinding site for residue GOL A 606
ChainResidue
AASP181
ATHR202
AGLY392
AASP393
AILE395
AHOH709
AHOH737

Functional Information from PROSITE/UniProt
site_idPS00455
Number of Residues12
DetailsAMP_BINDING Putative AMP-binding domain signature. LPYSSGTTGlPK
ChainResidueDetails
ALEU186-LYS197

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:26412334, ECO:0007744|PDB:5BSM
ChainResidueDetails
ASER189
AASP420
AARG435
ALYS526
ASER190
AGLY191
ATHR192
ATHR193
ALYS197
AGLN331
AGLY332
ATHR336

site_idSWS_FT_FI2
Number of Residues3
DetailsBINDING: BINDING => ECO:0000269|PubMed:26412334, ECO:0007744|PDB:5BSV
ChainResidueDetails
ATYR239
ASER243
AALA309

site_idSWS_FT_FI3
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:26412334, ECO:0007744|PDB:5BSR
ChainResidueDetails
ALYS260
ALYS437
ALYS441
ALYS443
AGLY444
AGLN446

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:26412334
ChainResidueDetails
AMET344

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PDB entries from 2024-11-06

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