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4ZJZ

Crystal structure of a benzoate coenzyme A ligase with Benzoyl-AMP

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 Residues22
Detailsbinding site for residue OOB A 1000
ChainResidue
ATYR228
ASER328
ATHR329
ALEU332
ASER404
AASP406
ATYR418
AARG421
ALYS427
ATYR432
AHOH1119
AALA302
AHOH1123
AHOH1188
AHOH1189
AGLY303
AGLU304
AALA305
AASP324
AGLY325
AILE326
AGLY327

site_idAC2
Number of Residues6
Detailsbinding site for residue BEZ A 1001
ChainResidue
AALA221
AGLY274
AALA275
AGLY278
AMET282
AHOH1173

site_idAC3
Number of Residues8
Detailsbinding site for residue GOL A 1002
ChainResidue
AARG297
ALEU298
AALA299
ALEU320
AASP321
AVAL323
APRO340
AHOH1111

site_idAC4
Number of Residues6
Detailsbinding site for residue GOL A 1003
ChainResidue
AARG421
ALEU426
ALYS427
ATHR463
AHOH1148
AHOH1151

site_idAC5
Number of Residues7
Detailsbinding site for residue GOL A 1004
ChainResidue
ALEU71
ATHR95
ALYS223
AGLY248
AARG250
AHOH1102
AHOH1147

site_idAC6
Number of Residues5
Detailsbinding site for residue GOL A 1005
ChainResidue
ALYS12
APHE13
AALA169
ATHR170
AHOH1243

site_idAC7
Number of Residues7
Detailsbinding site for residue BEZ B 601
ChainResidue
BALA221
BGLY274
BALA275
BGLY278
BHOH708
BHOH855
BHOH955

site_idAC8
Number of Residues8
Detailsbinding site for residue GOL B 602
ChainResidue
BASP75
BVAL140
BARG142
BPRO143
BASP153
BPHE154
BALA155
BHOH704

site_idAC9
Number of Residues22
Detailsbinding site for residue OOB B 603
ChainResidue
BTYR228
BALA302
BGLY303
BGLU304
BALA305
BASP324
BGLY325
BILE326
BGLY327
BSER328
BTHR329
BLEU332
BSER404
BASP406
BARG421
BLYS427
BTYR432
BHOH712
BHOH717
BHOH720
BHOH937
BHOH944

site_idAD1
Number of Residues8
Detailsbinding site for residue GOL B 604
ChainResidue
BARG297
BLEU298
BALA299
BLEU320
BASP321
BVAL323
BPRO340
BHOH923

site_idAD2
Number of Residues9
Detailsbinding site for residue GOL B 605
ChainResidue
ATHR129
ALYS130
BSER182
BGLY183
BGLY186
BARG187
BPRO188
BSER434
BHOH871

site_idAD3
Number of Residues7
Detailsbinding site for residue GOL B 606
ChainResidue
BPRO10
BLYS12
BPHE13
BASN14
BGLU17
BHIS18
BHOH719

site_idAD4
Number of Residues8
Detailsbinding site for residue GOL B 607
ChainResidue
BLEU71
BTHR95
BLEU96
BLYS223
BGLY248
BHOH710
BHOH816
BHOH942

site_idAD5
Number of Residues7
Detailsbinding site for residue GOL B 608
ChainResidue
BTYR418
BARG421
BLEU426
BLYS427
BTHR463
BHOH794
BHOH977

222036

PDB entries from 2024-07-03

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