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4RLF

Crystal structure of a benzoate coenzyme A ligase with p-Toluic acid and o-Toluic acid

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0005524molecular_functionATP binding
A0016405molecular_functionCoA-ligase activity
A0016874molecular_functionligase activity
A0016878molecular_functionacid-thiol ligase activity
A0044550biological_processsecondary metabolite biosynthetic process
B0000166molecular_functionnucleotide binding
B0005524molecular_functionATP binding
B0016405molecular_functionCoA-ligase activity
B0016874molecular_functionligase activity
B0016878molecular_functionacid-thiol ligase activity
B0044550biological_processsecondary metabolite biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 3SK A 1000
ChainResidue
AALA227
AHOH1340
ATYR228
AGLY303
AILE326
AGLY327
ASER328
ALEU332
AHIS333
AHOH1198

site_idAC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 4MA A 1001
ChainResidue
AALA221
APRO251
ATHR252
APRO253
AGLY274
AALA275
AGLY278
AMET282
AGOL1002
AHOH1261

site_idAC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1002
ChainResidue
AALA222
ATYR228
AALA275
AALA302
AGLY430
A4MA1001
AHOH1132
AHOH1198

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1003
ChainResidue
AARG297
ALEU298
AALA299
ALEU320
AASP321
AVAL323
APRO340
AHOH1315

site_idAC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 3SK B 1000
ChainResidue
BALA227
BTYR228
BGLY303
BILE326
BGLY327
BSER328
BLEU332
BHIS333
BLYS427
BHOH1225
BHOH1282

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 4MA B 1001
ChainResidue
BALA221
BPRO251
BTHR252
BPRO253
BGLY274
BALA275
BGLY278
BMET282
BGOL1002
BHOH1214

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 1002
ChainResidue
BALA222
BTYR228
BALA275
BALA302
BGLY303
BGLY430
B4MA1001
BHOH1157
BHOH1225

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL B 1003
ChainResidue
ATHR129
ALYS130
BSER182
BGLY183
BGLY186
BARG187
BPRO188
BSER434
BGLU437
BHOH1110
BHOH1244

site_idAC9
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1004
ChainResidue
BARG297
BLEU298
BALA299
BLEU320
BASP321
BVAL323
BPRO340
BHOH1271

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1005
ChainResidue
BASP34
BSER37
BGLY73
BTHR74
BASP75
BARG142
BGOL1006
BHOH1172

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1006
ChainResidue
BGOL1005
BHOH1346
BASP75
BVAL140
BSER141
BARG142
BPRO143
BASP153

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL B 1007
ChainResidue
BLEU71
BTHR95
BLEU96
BLYS223
BGLY248
BARG250
BPRO251
BHOH1262
BHOH1318

222036

PDB entries from 2024-07-03

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