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4RMN

Crystal structure of a benzoate coenzyme A ligase with 2-Thiophene Carboxylic acid

Functional Information from GO Data
ChainGOidnamespacecontents
A0005524molecular_functionATP binding
A0016405molecular_functionCoA-ligase activity
A0016874molecular_functionligase activity
A0016878molecular_functionacid-thiol ligase activity
A0018858molecular_functionbenzoate-CoA ligase activity
A0044550biological_processsecondary metabolite biosynthetic process
B0005524molecular_functionATP binding
B0016405molecular_functionCoA-ligase activity
B0016874molecular_functionligase activity
B0016878molecular_functionacid-thiol ligase activity
B0018858molecular_functionbenzoate-CoA ligase activity
B0044550biological_processsecondary metabolite biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE C21 A 1000
ChainResidue
ATYR228
AHOH1235
AHOH1357
AALA302
AGLY303
AGLY327
ASER328
ALEU332
AHIS333
AILE334
ALYS427

site_idAC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE C21 A 1001
ChainResidue
AALA221
AALA222
APHE226
ATYR228
AGLY274
AALA275
AALA302
AGLY303
AGLY430
AHOH1189
AHOH1235
AHOH1356

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1002
ChainResidue
AALA305
ALEU306
AASP324
AGLY346
ATHR347
ATHR348
ATHR417
ATYR418

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE C21 B 1000
ChainResidue
BTYR228
BALA302
BGLY303
BGLY327
BSER328
BLEU332
BHIS333
BILE334
BLYS427
BHOH1227
BHOH1350

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE C21 B 1001
ChainResidue
BALA222
BPHE226
BTYR228
BGLY274
BALA275
BALA302
BGLY303
BGLY430
BHOH1158
BHOH1227
BHOH1288
BHOH1331

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE GOL B 1002
ChainResidue
ATHR129
ALYS130
BSER182
BGLY183
BSER184
BGLY186
BARG187
BPRO188
BSER434
BGLU437
BHOH1123
BHOH1333

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1003
ChainResidue
BLEU71
BTHR95
BLEU96
BLYS223
BGLY248
BHOH1206
BHOH1207
BHOH1355

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 1004
ChainResidue
BASP101
BSER182
BPRO188
BGLU437
BLYS494
BHOH1176
BHOH1361

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1005
ChainResidue
BILE357
BGLU358
BLEU359
BARG410
BTYR416
BHOH1225
BHOH1347
BHOH1368

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 1006
ChainResidue
BASP75
BVAL140
BSER141
BARG142
BPRO143
BASP153
BPHE154
BALA155
BHOH1344

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL B 1007
ChainResidue
BASN14
BGLU17
BHIS18
BPHE13

222036

PDB entries from 2024-07-03

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